1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine

C18H23NO — CID 106681172

IUPAC1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2c(C)cc(C)cc2OC)c1
InChIInChI=1S/C18H23NO/c1-5-16(19)14-7-6-8-15(11-14)18-13(3)9-12(2)10-17(18)20-4/h6-11,16H,5,19H2,1-4H3
InChIKeyZUAMQKSSTHOXOA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.39
Rot. Bonds4

About 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine

1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine (PubChem CID 106681172) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
PubChem CID106681172
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2c(C)cc(C)cc2OC)c1
InChIInChI=1S/C18H23NO/c1-5-16(19)14-7-6-8-15(11-14)18-13(3)9-12(2)10-17(18)20-4/h6-11,16H,5,19H2,1-4H3
InChIKeyZUAMQKSSTHOXOA-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 106681161
1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106882319
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine
CID 106681069
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 43118068
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(3S)-3-amino-3-[3-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 135366920
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79731856
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine (CID 106681172) is 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine is CCC(N)c1cccc(-c2c(C)cc(C)cc2OC)c1.
What is the InChIKey of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine?
The InChIKey is ZUAMQKSSTHOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-16(19)14-7-6-8-15(11-14)18-13(3)9-12(2)10-17(18)20-4/h6-11,16H,5,19H2,1-4H3.
What are the key properties of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine?
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 106681172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).