1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine

C15H24ClNO2S — CID 115898625

IUPAC1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine
SMILESCCS(=O)(=O)CC(C)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H24ClNO2S/c1-5-20(18,19)10-12(4)17-15(11(2)3)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,5,10H2,1-4H3
InChIKeyMZOWVFYNGIWRMH-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine

1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine (PubChem CID 115898625) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine
PubChem CID115898625
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine
SMILESCCS(=O)(=O)CC(C)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H24ClNO2S/c1-5-20(18,19)10-12(4)17-15(11(2)3)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,5,10H2,1-4H3
InChIKeyMZOWVFYNGIWRMH-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
CID 43687596
(1S)-1-(4-chloro-2-fluorophenyl)-2-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 99820749
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine
CID 113259992
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
1-(4-chlorophenyl)-N-methylbutane-1-sulfonamide
CID 165445624
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612365
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine (CID 115898625) is 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine is CCS(=O)(=O)CC(C)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine?
The InChIKey is MZOWVFYNGIWRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-5-20(18,19)10-12(4)17-15(11(2)3)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,5,10H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine?
1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine has a molecular weight of 317.88 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 115898625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).