1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine

C16H16Br2FNS — CID 66158639

IUPAC1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Br)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16Br2FNS/c1-20-14(8-11-7-13(19)5-6-16(11)18)10-21-15-4-2-3-12(17)9-15/h2-7,9,14,20H,8,10H2,1H3
InChIKeyHYQZQKZYSFAEGX-UHFFFAOYSA-N
MW433.18 g/mol
LogP5.27
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine

1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66158639) has the molecular formula C16H16Br2FNS and a molecular weight of 433.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66158639
Molecular FormulaC16H16Br2FNS
Molecular Weight433.18 g/mol
Exact Mass430.94
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Br)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16Br2FNS/c1-20-14(8-11-7-13(19)5-6-16(11)18)10-21-15-4-2-3-12(17)9-15/h2-7,9,14,20H,8,10H2,1H3
InChIKeyHYQZQKZYSFAEGX-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.18
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
1-(3-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 66159819
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine (CID 66158639) is 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1cccc(Br)c1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is HYQZQKZYSFAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNS/c1-20-14(8-11-7-13(19)5-6-16(11)18)10-21-15-4-2-3-12(17)9-15/h2-7,9,14,20H,8,10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 433.18 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66158639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).