1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine

C15H24BrNS — CID 79445979

IUPAC1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(CSc1ccccc1Br)C(C)CC
InChIInChI=1S/C15H24BrNS/c1-4-10-17-14(12(3)5-2)11-18-15-9-7-6-8-13(15)16/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyLTICBRRSKZZAPT-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.96
Rot. Bonds8

About 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine

1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine (PubChem CID 79445979) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
PubChem CID79445979
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(CSc1ccccc1Br)C(C)CC
InChIInChI=1S/C15H24BrNS/c1-4-10-17-14(12(3)5-2)11-18-15-9-7-6-8-13(15)16/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyLTICBRRSKZZAPT-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

N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186666
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
CID 66142536
N-[2-(2-bromophenyl)sulfanylethyl]butan-2-amine
CID 62576173
1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 66145067
1-(2-bromophenyl)sulfanylpentan-2-ol
CID 66144436
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine (CID 79445979) is 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine is CCCNC(CSc1ccccc1Br)C(C)CC.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
The InChIKey is LTICBRRSKZZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-4-10-17-14(12(3)5-2)11-18-15-9-7-6-8-13(15)16/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine?
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-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-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 79445979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).