2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine

C18H24N2O — CID 61420508

IUPAC2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
SMILESCOc1ccc(CN(C)C(CN)Cc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(14-16-8-10-18(21-2)11-9-16)17(13-19)12-15-6-4-3-5-7-15/h3-11,17H,12-14,19H2,1-2H3
InChIKeyVJODJRBIXFWAGG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.70
Rot. Bonds7

About 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine

2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 61420508) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID61420508
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
SMILESCOc1ccc(CN(C)C(CN)Cc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(14-16-8-10-18(21-2)11-9-16)17(13-19)12-15-6-4-3-5-7-15/h3-11,17H,12-14,19H2,1-2H3
InChIKeyVJODJRBIXFWAGG-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
3,3,3-trifluoro-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420445
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 54982725
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol
CID 42624483
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine (CID 61420508) is 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine is COc1ccc(CN(C)C(CN)Cc2ccccc2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is VJODJRBIXFWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(14-16-8-10-18(21-2)11-9-16)17(13-19)12-15-6-4-3-5-7-15/h3-11,17H,12-14,19H2,1-2H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 61420508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).