2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine

C17H21NO2S — CID 64657384

IUPAC2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO2S/c1-3-16(17(18)13-7-5-4-6-8-13)21(19)15-11-9-14(20-2)10-12-15/h4-12,16-17H,3,18H2,1-2H3
InChIKeyGUQFLOUZVDCZFU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.28
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine

2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine (PubChem CID 64657384) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
PubChem CID64657384
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO2S/c1-3-16(17(18)13-7-5-4-6-8-13)21(19)15-11-9-14(20-2)10-12-15/h4-12,16-17H,3,18H2,1-2H3
InChIKeyGUQFLOUZVDCZFU-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfinyl-1-phenylbutan-1-amine
CID 64653527
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
ethyl 2-(4-methoxyphenyl)sulfinylbutanoate
CID 64662288
2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658938
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
diphenylmethanol;4-methoxybenzenesulfinic acid
CID 70461534
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine
CID 64656085
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
2-methoxy-1-phenylbutan-1-amine
CID 43211581

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine (CID 64657384) is 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine is CCC(C(N)c1ccccc1)S(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine?
The InChIKey is GUQFLOUZVDCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-16(17(18)13-7-5-4-6-8-13)21(19)15-11-9-14(20-2)10-12-15/h4-12,16-17H,3,18H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine?
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64657384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).