N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine

C19H26N2O — CID 54566866

IUPACN'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
SMILESCCN(CCN(C)Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-4-21(18-8-6-5-7-9-18)15-14-20(2)16-17-10-12-19(22-3)13-11-17/h5-13H,4,14-16H2,1-3H3
InChIKeyZULDHLMXGCRHLG-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.65
Rot. Bonds8

About N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine

N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine (PubChem CID 54566866) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
PubChem CID54566866
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
SMILESCCN(CCN(C)Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-4-21(18-8-6-5-7-9-18)15-14-20(2)16-17-10-12-19(22-3)13-11-17/h5-13H,4,14-16H2,1-3H3
InChIKeyZULDHLMXGCRHLG-UHFFFAOYSA-N
XLogP3.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
CID 4658360
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
3-anthracen-9-yl-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 156612694
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine (CID 54566866) is N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine is CCN(CCN(C)Cc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is ZULDHLMXGCRHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-21(18-8-6-5-7-9-18)15-14-20(2)16-17-10-12-19(22-3)13-11-17/h5-13H,4,14-16H2,1-3H3.
What are the key properties of N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine?
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 54566866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).