1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine

C11H16BrNS — CID 66054298

IUPAC1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
SMILESCC(C)C(N)CSc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNS/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3
InChIKeyRRAVRQPSXYRFQE-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine

1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine (PubChem CID 66054298) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
PubChem CID66054298
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
SMILESCC(C)C(N)CSc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNS/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3
InChIKeyRRAVRQPSXYRFQE-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
1-(4-bromophenyl)sulfanyl-4-methylhexan-2-amine
CID 66056872
1-(4-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575020
3-(4-bromophenyl)sulfanyl-2-methylpropanenitrile
CID 43093176
1-(4-bromophenyl)sulfanyl-3,3-dimethylbutan-2-ol
CID 60728564
1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine
CID 66056676
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
1-(3-bromophenyl)sulfanyl-3,5-dimethylhexan-2-amine
CID 114284878
methyl 2-bromo-3-(4-bromophenyl)sulfanylpropanoate
CID 81091387
1-bromo-4-propylsulfanylbenzene;hydrofluoride
CID 174332462

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine (CID 66054298) is 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine is CC(C)C(N)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine?
The InChIKey is RRAVRQPSXYRFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine?
1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine has a molecular weight of 274.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine is sourced from PubChem (CID 66054298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).