azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride

C47H83Cl2N5O7 — CID 158741540

IUPACazane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride
SMILESCCCOC.CN.CNCCOC.CNCCOC.COCCN(C)CCOC(c1ccccc1)c1ccccc1.Cl.ClCCOC(c1ccccc1)c1ccccc1.N.O
InChIInChI=1S/C19H25NO2.C15H15ClO.2C4H11NO.C4H10O.CH5N.ClH.H3N.H2O/c1-20(13-15-21-2)14-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-5-3-4-6-2;1-3-4-5-2;1-2;;;/h3-12,19H,13-16H2,1-2H3;1-10,15H,11-12H2;2*5H,3-4H2,1-2H3;3-4H2,1-2H3;2H2,1H3;1H;1H3;1H2
InChIKeyDPSDKHFVIQSLSC-UHFFFAOYSA-N
MW901.11 g/mol
LogP7.48
Rot. Bonds22

About azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride

azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride (PubChem CID 158741540) has the molecular formula C47H83Cl2N5O7 and a molecular weight of 901.11 g/mol. Its IUPAC name is azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride.

Molecular Properties

Compound Nameazane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride
PubChem CID158741540
Molecular FormulaC47H83Cl2N5O7
Molecular Weight901.11 g/mol
Exact Mass899.57
IUPAC Nameazane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride
SMILESCCCOC.CN.CNCCOC.CNCCOC.COCCN(C)CCOC(c1ccccc1)c1ccccc1.Cl.ClCCOC(c1ccccc1)c1ccccc1.N.O
InChIInChI=1S/C19H25NO2.C15H15ClO.2C4H11NO.C4H10O.CH5N.ClH.H3N.H2O/c1-20(13-15-21-2)14-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-5-3-4-6-2;1-3-4-5-2;1-2;;;/h3-12,19H,13-16H2,1-2H3;1-10,15H,11-12H2;2*5H,3-4H2,1-2H3;3-4H2,1-2H3;2H2,1H3;1H;1H3;1H2
InChIKeyDPSDKHFVIQSLSC-UHFFFAOYSA-N
XLogP7.48
TPSA175.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.11
LogP ≤ 57.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride with MolForge

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Related Compounds

N,N-bis(2-benzhydryloxyethyl)-2-methoxyethanamine
CID 59370281
CID 68314781
CID 68314781
N-(2-chloroethyl)-N-ethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-[ethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]ethanol
CID 157052700
CID 157425091
CID 157425091
1-(2-Benzhydryloxyethyl)piperazine;[2-chloroethoxy(phenyl)methyl]benzene;diphenylmethanol;ethane
CID 157807992
2-benzhydryloxy-N-(2-chloroethyl)-N-methylethanamine;2-[2-benzhydryloxyethyl(methyl)amino]ethanol
CID 158709757
1-(2-benzhydryloxyethyl)-1,4-diazepane;(2S,5R)-1-(2-benzhydryloxyethyl)-2,5-dimethylpiperazine;bis([2-chloroethoxy(phenyl)methyl]benzene);ethane
CID 159295122
azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;methane;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride
CID 159948888
azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;2-methoxyethyl methanesulfonate;bis(2-methoxy-N-methylethanamine);hydrate;hydrochloride
CID 160154659
CID 160290074
CID 160290074
N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;2-benzhydryloxy-N-methylethanamine;2-bromoethanol;[2-bromoethoxy(phenyl)methyl]benzene;diphenylmethanol
CID 160991176
2-benzhydryloxy-N-(2-benzhydryloxyethyl)-N-methylethanamine
CID 4440086

Frequently Asked Questions

What is the IUPAC name of azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride?
The IUPAC name of azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride (CID 158741540) is azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride.
What is the SMILES notation for azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride?
The canonical SMILES for azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride is CCCOC.CN.CNCCOC.CNCCOC.COCCN(C)CCOC(c1ccccc1)c1ccccc1.Cl.ClCCOC(c1ccccc1)c1ccccc1.N.O.
What is the InChIKey of azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride?
The InChIKey is DPSDKHFVIQSLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.C15H15ClO.2C4H11NO.C4H10O.CH5N.ClH.H3N.H2O/c1-20(13-15-21-2)14-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-5-3-4-6-2;1-3-4-5-2;1-2;;;/h3-12,19H,13-16H2,1-2H3;1-10,15H,11-12H2;2*5H,3-4H2,1-2H3;3-4H2,1-2H3;2H2,1H3;1H;1H3;1H2.
What are the key properties of azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride?
azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride has a molecular weight of 901.11 g/mol, XLogP of 7.48, 22 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(2-benzhydryloxyethyl)-2-methoxy-N-methylethanamine;[2-chloroethoxy(phenyl)methyl]benzene;methanamine;bis(2-methoxy-N-methylethanamine);1-methoxypropane;hydrate;hydrochloride is sourced from PubChem (CID 158741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).