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

C17H22N2O — CID 62004171

IUPAC1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCOc1cccc(N(C)CC(N)Cc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-19(16-9-6-10-17(12-16)20-2)13-15(18)11-14-7-4-3-5-8-14/h3-10,12,15H,11,13,18H2,1-2H3
InChIKeyHJIFYGREOVEICN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds6

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

1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 62004171) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID62004171
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCOc1cccc(N(C)CC(N)Cc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-19(16-9-6-10-17(12-16)20-2)13-15(18)11-14-7-4-3-5-8-14/h3-10,12,15H,11,13,18H2,1-2H3
InChIKeyHJIFYGREOVEICN-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
(3S)-1-N-[(3-methoxyphenyl)methyl]-4-phenylbutane-1,3-diamine
CID 69321534
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291259

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine (CID 62004171) is 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine is COc1cccc(N(C)CC(N)Cc2ccccc2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is HJIFYGREOVEICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(16-9-6-10-17(12-16)20-2)13-15(18)11-14-7-4-3-5-8-14/h3-10,12,15H,11,13,18H2,1-2H3.
What are the key properties of 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 62004171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).