N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine

C17H30N2O — CID 62259863

IUPACN-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(C)CCOC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-11-18-14-17(2,15-19(3)12-13-20-4)16-9-7-6-8-10-16/h6-10,18H,5,11-15H2,1-4H3
InChIKeyYVKISVCOOUOETL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.52
Rot. Bonds10

About N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine

N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine (PubChem CID 62259863) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
PubChem CID62259863
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(C)CCOC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-5-11-18-14-17(2,15-19(3)12-13-20-4)16-9-7-6-8-10-16/h6-10,18H,5,11-15H2,1-4H3
InChIKeyYVKISVCOOUOETL-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
CID 63482320
N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62263083
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256339
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 63954461
N'-(2-methoxyethyl)-N'-methyl-2,2-diphenylpropane-1,3-diamine
CID 59200487
N,N'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 63700515
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine (CID 62259863) is N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CN(C)CCOC)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
The InChIKey is YVKISVCOOUOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-11-18-14-17(2,15-19(3)12-13-20-4)16-9-7-6-8-10-16/h6-10,18H,5,11-15H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62259863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).