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

C17H20BrNOS — CID 64657598

IUPAC2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNOS/c1-3-19-17(14-8-5-4-6-9-14)13(2)21(20)16-11-7-10-15(18)12-16/h4-13,17,19H,3H2,1-2H3
InChIKeyJGFZRGJKOUMCRD-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.30
Rot. Bonds6

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

2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine (PubChem CID 64657598) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
PubChem CID64657598
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)S(=O)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNOS/c1-3-19-17(14-8-5-4-6-9-14)13(2)21(20)16-11-7-10-15(18)12-16/h4-13,17,19H,3H2,1-2H3
InChIKeyJGFZRGJKOUMCRD-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
2-(3-bromophenyl)sulfinyl-1-phenylpropan-1-amine
CID 64659944
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64657800
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
4-(3-bromophenyl)sulfinyl-N-methylpentan-2-amine
CID 64702612
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
4-(3-bromophenyl)sulfinylpentan-2-one
CID 64705238
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine (CID 64657598) is 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)S(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is JGFZRGJKOUMCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-3-19-17(14-8-5-4-6-9-14)13(2)21(20)16-11-7-10-15(18)12-16/h4-13,17,19H,3H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine?
2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 366.32 g/mol, XLogP of 4.30, 6 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-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64657598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).