2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine

C17H20ClNOS — CID 64658274

IUPAC2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)S(=O)c1ccccc1Cl
InChIInChI=1S/C17H20ClNOS/c1-12-8-10-14(11-9-12)17(19-3)13(2)21(20)16-7-5-4-6-15(16)18/h4-11,13,17,19H,1-3H3
InChIKeyCCWKUHQCPBWRPL-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine

2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64658274) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64658274
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)S(=O)c1ccccc1Cl
InChIInChI=1S/C17H20ClNOS/c1-12-8-10-14(11-9-12)17(19-3)13(2)21(20)16-7-5-4-6-15(16)18/h4-11,13,17,19H,1-3H3
InChIKeyCCWKUHQCPBWRPL-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
CID 64660228
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64657800
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
2-(2-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303125
3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64621434
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine (CID 64658274) is 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine is CNC(c1ccc(C)cc1)C(C)S(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is CCWKUHQCPBWRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-12-8-10-14(11-9-12)17(19-3)13(2)21(20)16-7-5-4-6-15(16)18/h4-11,13,17,19H,1-3H3.
What are the key properties of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 321.87 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64658274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).