2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine

C17H20BrNOS — CID 64657800

IUPAC2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNOS/c1-12-7-9-14(10-8-12)17(19-3)13(2)21(20)16-6-4-5-15(18)11-16/h4-11,13,17,19H,1-3H3
InChIKeyYNZZYRBGONXZKO-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine

2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64657800) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64657800
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNOS/c1-12-7-9-14(10-8-12)17(19-3)13(2)21(20)16-6-4-5-15(18)11-16/h4-11,13,17,19H,1-3H3
InChIKeyYNZZYRBGONXZKO-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64658274
2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
CID 64659944
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
2-(3-bromophenyl)sulfinylpropanenitrile
CID 64689604
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
CID 64660228
4-(3-bromophenyl)sulfinylpentan-2-one
CID 64705238
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine (CID 64657800) is 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine is CNC(c1ccc(C)cc1)C(C)S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is YNZZYRBGONXZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-12-7-9-14(10-8-12)17(19-3)13(2)21(20)16-6-4-5-15(18)11-16/h4-11,13,17,19H,1-3H3.
What are the key properties of 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine?
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 366.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64657800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).