N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C22H35ClN2O3 — CID 120915544

IUPACN-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCc1ccc(CNC2CCCC2C2COCCN2)c(OCC2CCCO2)c1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-16-7-8-17(22(12-16)27-14-18-4-3-10-26-18)13-24-20-6-2-5-19(20)21-15-25-11-9-23-21;/h7-8,12,18-21,23-24H,2-6,9-11,13-15H2,1H3;1H
InChIKeyHXPGRWIOFNDDPJ-UHFFFAOYSA-N
MW410.99 g/mol
LogP3.22
Rot. Bonds7

About N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915544) has the molecular formula C22H35ClN2O3 and a molecular weight of 410.99 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915544
Molecular FormulaC22H35ClN2O3
Molecular Weight410.99 g/mol
Exact Mass410.23
IUPAC NameN-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCc1ccc(CNC2CCCC2C2COCCN2)c(OCC2CCCO2)c1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-16-7-8-17(22(12-16)27-14-18-4-3-10-26-18)13-24-20-6-2-5-19(20)21-15-25-11-9-23-21;/h7-8,12,18-21,23-24H,2-6,9-11,13-15H2,1H3;1H
InChIKeyHXPGRWIOFNDDPJ-UHFFFAOYSA-N
XLogP3.22
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 120936172
N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120913878
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913891
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120971615
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915544) is N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cc1ccc(CNC2CCCC2C2COCCN2)c(OCC2CCCO2)c1.Cl.
What is the InChIKey of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is HXPGRWIOFNDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3.ClH/c1-16-7-8-17(22(12-16)27-14-18-4-3-10-26-18)13-24-20-6-2-5-19(20)21-15-25-11-9-23-21;/h7-8,12,18-21,23-24H,2-6,9-11,13-15H2,1H3;1H.
What are the key properties of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).