2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine

C16H19NO2S — CID 64658938

IUPAC2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
SMILESCOc1cccc(S(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-12(16(17)13-7-4-3-5-8-13)20(18)15-10-6-9-14(11-15)19-2/h3-12,16H,17H2,1-2H3
InChIKeyCZROTVGXRVCHDM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine

2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine (PubChem CID 64658938) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
PubChem CID64658938
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
SMILESCOc1cccc(S(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-12(16(17)13-7-4-3-5-8-13)20(18)15-10-6-9-14(11-15)19-2/h3-12,16H,17H2,1-2H3
InChIKeyCZROTVGXRVCHDM-UHFFFAOYSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
tert-butyl 2-(3-methoxyphenyl)sulfinylpropanoate
CID 66338152
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
CID 64657384
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine (CID 64658938) is 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine is COc1cccc(S(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine?
The InChIKey is CZROTVGXRVCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(16(17)13-7-4-3-5-8-13)20(18)15-10-6-9-14(11-15)19-2/h3-12,16H,17H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine?
2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64658938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).