1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C16H27N3O — CID 63206777

IUPAC1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H27N3O/c1-18(11-12-19-9-3-4-10-19)13-16(17)14-5-7-15(20-2)8-6-14/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyKDHIJDWMJAAUJC-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds7

About 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63206777) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63206777
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H27N3O/c1-18(11-12-19-9-3-4-10-19)13-16(17)14-5-7-15(20-2)8-6-14/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyKDHIJDWMJAAUJC-UHFFFAOYSA-N
XLogP1.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487404
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207477
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63206777) is 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is COc1ccc(C(N)CN(C)CCN2CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is KDHIJDWMJAAUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(11-12-19-9-3-4-10-19)13-16(17)14-5-7-15(20-2)8-6-14/h5-8,16H,3-4,9-13,17H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 277.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63206777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).