(1S)-1-(4-methoxyphenyl)-1-phenylethanamine

C15H17NO — CID 93047943

IUPAC(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
SMILESCOc1ccc([C@@](C)(N)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11H,16H2,1-2H3/t15-/m0/s1
InChIKeyDBCCNOAPKJBEHN-HNNXBMFYSA-N
MW227.31 g/mol
LogP2.92
Rot. Bonds3

About (1S)-1-(4-methoxyphenyl)-1-phenylethanamine

(1S)-1-(4-methoxyphenyl)-1-phenylethanamine (PubChem CID 93047943) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
PubChem CID93047943
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
SMILESCOc1ccc([C@@](C)(N)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11H,16H2,1-2H3/t15-/m0/s1
InChIKeyDBCCNOAPKJBEHN-HNNXBMFYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
1,1-diphenylethanamine
CID 12761172
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-1-phenylethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-1-phenylethanamine (CID 93047943) is (1S)-1-(4-methoxyphenyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-1-phenylethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-1-phenylethanamine is COc1ccc([C@@](C)(N)c2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-1-phenylethanamine?
The InChIKey is DBCCNOAPKJBEHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11H,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-1-phenylethanamine?
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-1-phenylethanamine is sourced from PubChem (CID 93047943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).