1-[4-(3-methoxyphenyl)phenyl]propan-1-amine

C16H19NO — CID 54911575

IUPAC1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc(OC)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-16(17)13-9-7-12(8-10-13)14-5-4-6-15(11-14)18-2/h4-11,16H,3,17H2,1-2H3
InChIKeySEFUQPSKYVSTTC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.77
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine

1-[4-(3-methoxyphenyl)phenyl]propan-1-amine (PubChem CID 54911575) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
PubChem CID54911575
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc(OC)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-16(17)13-9-7-12(8-10-13)14-5-4-6-15(11-14)18-2/h4-11,16H,3,17H2,1-2H3
InChIKeySEFUQPSKYVSTTC-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218899
1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine
CID 141183609
ethyl (3S)-3-amino-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
CID 140935488
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine (CID 54911575) is 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine is CCC(N)c1ccc(-c2cccc(OC)c2)cc1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine?
The InChIKey is SEFUQPSKYVSTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-16(17)13-9-7-12(8-10-13)14-5-4-6-15(11-14)18-2/h4-11,16H,3,17H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine?
1-[4-(3-methoxyphenyl)phenyl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 54911575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).