N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine

C18H24N2O — CID 70530947

IUPACN-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCNCCC(c1ccccc1)N(C)c1cccc(OC)c1
InChIInChI=1S/C18H24N2O/c1-19-13-12-18(15-8-5-4-6-9-15)20(2)16-10-7-11-17(14-16)21-3/h4-11,14,18-19H,12-13H2,1-3H3
InChIKeyBXIJXRYXBQANDK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.48
Rot. Bonds7

About N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine

N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 70530947) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID70530947
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCNCCC(c1ccccc1)N(C)c1cccc(OC)c1
InChIInChI=1S/C18H24N2O/c1-19-13-12-18(15-8-5-4-6-9-15)20(2)16-10-7-11-17(14-16)21-3/h4-11,14,18-19H,12-13H2,1-3H3
InChIKeyBXIJXRYXBQANDK-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24900270
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
CID 91311967
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954
N'-[(3-methoxyphenyl)-diphenylmethyl]-N,N'-dimethylethane-1,2-diamine
CID 155762879
3-chloro-1-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 116907619
2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62430800
2-(3-methoxy-N-methylanilino)butanedioic acid
CID 115144348
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124
3-(6-methoxy-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088610

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine (CID 70530947) is N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine is CNCCC(c1ccccc1)N(C)c1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is BXIJXRYXBQANDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19-13-12-18(15-8-5-4-6-9-15)20(2)16-10-7-11-17(14-16)21-3/h4-11,14,18-19H,12-13H2,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 70530947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).