2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine

C15H16BrNOS — CID 64659944

IUPAC2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)S(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNOS/c1-11(15(17)12-6-3-2-4-7-12)19(18)14-9-5-8-13(16)10-14/h2-11,15H,17H2,1H3
InChIKeyDWBCYTNSFVQQKV-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.65
Rot. Bonds4

About 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine

2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine (PubChem CID 64659944) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
PubChem CID64659944
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)S(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNOS/c1-11(15(17)12-6-3-2-4-7-12)19(18)14-9-5-8-13(16)10-14/h2-11,15H,17H2,1H3
InChIKeyDWBCYTNSFVQQKV-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658938
2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
2-(benzenesulfinyl)-1-(4-ethylphenyl)propan-1-amine
CID 64660013
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64657800
2-(3-bromophenyl)sulfinylpropanenitrile
CID 64689604
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
4-(3-bromophenyl)sulfinylpentan-2-one
CID 64705238
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
2-[amino-(3-bromophenyl)methyl]-3-methylbutanoic acid
CID 116945232
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine (CID 64659944) is 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine is CC(C(N)c1ccccc1)S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine?
The InChIKey is DWBCYTNSFVQQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11(15(17)12-6-3-2-4-7-12)19(18)14-9-5-8-13(16)10-14/h2-11,15H,17H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine?
2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine has a molecular weight of 338.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64659944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).