1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine

C15H14BrClFNS — CID 66158625

IUPAC1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESNC(CSc1cccc(Br)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14BrClFNS/c16-10-3-1-4-12(7-10)20-9-11(19)8-13-14(17)5-2-6-15(13)18/h1-7,11H,8-9,19H2
InChIKeyRJCNXIJENBNDQB-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.90
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine

1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine (PubChem CID 66158625) has the molecular formula C15H14BrClFNS and a molecular weight of 374.71 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
PubChem CID66158625
Molecular FormulaC15H14BrClFNS
Molecular Weight374.71 g/mol
Exact Mass372.97
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESNC(CSc1cccc(Br)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14BrClFNS/c16-10-3-1-4-12(7-10)20-9-11(19)8-13-14(17)5-2-6-15(13)18/h1-7,11H,8-9,19H2
InChIKeyRJCNXIJENBNDQB-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 66144716
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 63024382
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
1-(3-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 66159819
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine (CID 66158625) is 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine is NC(CSc1cccc(Br)c1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The InChIKey is RJCNXIJENBNDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNS/c16-10-3-1-4-12(7-10)20-9-11(19)8-13-14(17)5-2-6-15(13)18/h1-7,11H,8-9,19H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine?
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine has a molecular weight of 374.71 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine is sourced from PubChem (CID 66158625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).