1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine

C13H20ClNOS — CID 103911457

IUPAC1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCC(C)S(C)=O
InChIInChI=1S/C13H20ClNOS/c1-10(15-9-11(2)17(3)16)8-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyVRWPBUQQYCIRAQ-UHFFFAOYSA-N
MW273.83 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine

1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine (PubChem CID 103911457) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
PubChem CID103911457
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCC(C)S(C)=O
InChIInChI=1S/C13H20ClNOS/c1-10(15-9-11(2)17(3)16)8-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyVRWPBUQQYCIRAQ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
(2S)-1-(2-methylphenyl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propan-2-amine
CID 97108128
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
4-[3-(2-methylsulfinylpropylamino)butyl]phenol
CID 113470908
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103910216
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine (CID 103911457) is 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCC(C)S(C)=O.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The InChIKey is VRWPBUQQYCIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-10(15-9-11(2)17(3)16)8-12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine is sourced from PubChem (CID 103911457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).