1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine

C15H24BrNS — CID 66057294

IUPAC1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(CSc1ccc(Br)cc1)CC(C)CC
InChIInChI=1S/C15H24BrNS/c1-4-12(3)10-14(17-5-2)11-18-15-8-6-13(16)7-9-15/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyPRWKJRCUQDXSFS-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.96
Rot. Bonds8

About 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine

1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine (PubChem CID 66057294) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
PubChem CID66057294
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(CSc1ccc(Br)cc1)CC(C)CC
InChIInChI=1S/C15H24BrNS/c1-4-12(3)10-14(17-5-2)11-18-15-8-6-13(16)7-9-15/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyPRWKJRCUQDXSFS-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
1-(4-bromophenyl)sulfanyl-4-methylhexan-2-amine
CID 66056872
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
CID 66070783
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
CID 105236985
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66055710
1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
CID 66054298

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine (CID 66057294) is 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine is CCNC(CSc1ccc(Br)cc1)CC(C)CC.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
The InChIKey is PRWKJRCUQDXSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-4-12(3)10-14(17-5-2)11-18-15-8-6-13(16)7-9-15/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine?
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine has a molecular weight of 330.34 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine is sourced from PubChem (CID 66057294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).