(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine

C15H17NO — CID 93461021

IUPAC(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
SMILESCOc1cccc(-c2cccc([C@H](C)N)c2)c1
InChIInChI=1S/C15H17NO/c1-11(16)12-5-3-6-13(9-12)14-7-4-8-15(10-14)17-2/h3-11H,16H2,1-2H3/t11-/m0/s1
InChIKeyCYHZGJPINIJWAO-NSHDSACASA-N
MW227.31 g/mol
LogP3.38
Rot. Bonds3

About (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine

(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine (PubChem CID 93461021) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
PubChem CID93461021
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
SMILESCOc1cccc(-c2cccc([C@H](C)N)c2)c1
InChIInChI=1S/C15H17NO/c1-11(16)12-5-3-6-13(9-12)14-7-4-8-15(10-14)17-2/h3-11H,16H2,1-2H3/t11-/m0/s1
InChIKeyCYHZGJPINIJWAO-NSHDSACASA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
CID 54911575
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine (CID 93461021) is (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine is COc1cccc(-c2cccc([C@H](C)N)c2)c1.
What is the InChIKey of (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine?
The InChIKey is CYHZGJPINIJWAO-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO/c1-11(16)12-5-3-6-13(9-12)14-7-4-8-15(10-14)17-2/h3-11H,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine?
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 93461021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).