N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine

C21H30N2O — CID 92573728

IUPACN',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@@H](Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C21H30N2O/c1-4-23(5-2)15-14-22-21(16-18-10-7-6-8-11-18)19-12-9-13-20(17-19)24-3/h6-13,17,21-22H,4-5,14-16H2,1-3H3/t21-/m0/s1
InChIKeyWPFWQZMEWMXGFF-NRFANRHFSA-N
MW326.48 g/mol
LogP3.91
Rot. Bonds10

About N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine

N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine (PubChem CID 92573728) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine
PubChem CID92573728
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@@H](Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C21H30N2O/c1-4-23(5-2)15-14-22-21(16-18-10-7-6-8-11-18)19-12-9-13-20(17-19)24-3/h6-13,17,21-22H,4-5,14-16H2,1-3H3/t21-/m0/s1
InChIKeyWPFWQZMEWMXGFF-NRFANRHFSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]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

N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 145453268
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65383358
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 46594882
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine (CID 92573728) is N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine is CCN(CC)CCN[C@@H](Cc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine?
The InChIKey is WPFWQZMEWMXGFF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N2O/c1-4-23(5-2)15-14-22-21(16-18-10-7-6-8-11-18)19-12-9-13-20(17-19)24-3/h6-13,17,21-22H,4-5,14-16H2,1-3H3/t21-/m0/s1.
What are the key properties of N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine has a molecular weight of 326.48 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine is sourced from PubChem (CID 92573728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).