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

C18H24N2O — CID 65487404

IUPAC1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)CCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(13-12-15-6-4-3-5-7-15)14-18(19)16-8-10-17(21-2)11-9-16/h3-11,18H,12-14,19H2,1-2H3
InChIKeyOIHRZDYMQICRBH-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.87
Rot. Bonds7

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

1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 65487404) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID65487404
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)CCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(13-12-15-6-4-3-5-7-15)14-18(19)16-8-10-17(21-2)11-9-16/h3-11,18H,12-14,19H2,1-2H3
InChIKeyOIHRZDYMQICRBH-UHFFFAOYSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
CID 69422231
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 101347928
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
2-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254684
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
3-amino-4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115241881

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine (CID 65487404) is 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine is COc1ccc(C(N)CN(C)CCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is OIHRZDYMQICRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(13-12-15-6-4-3-5-7-15)14-18(19)16-8-10-17(21-2)11-9-16/h3-11,18H,12-14,19H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65487404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).