1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine

C15H22BrNS — CID 79186666

IUPAC1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CSc1ccccc1Br)NCCC
InChIInChI=1S/C15H22BrNS/c1-4-9-17-13(10-12(2)3)11-18-15-8-6-5-7-14(15)16/h5-8,13,17H,2,4,9-11H2,1,3H3
InChIKeyXTZBKPHDENBQMD-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.88
Rot. Bonds8

About 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine

1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine (PubChem CID 79186666) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
PubChem CID79186666
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(CSc1ccccc1Br)NCCC
InChIInChI=1S/C15H22BrNS/c1-4-9-17-13(10-12(2)3)11-18-15-8-6-5-7-14(15)16/h5-8,13,17H,2,4,9-11H2,1,3H3
InChIKeyXTZBKPHDENBQMD-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
CID 66142536
1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79445979
1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 66145067
1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 66144092
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
1-(2-bromophenyl)sulfanyl-5-methylhex-5-en-2-ol
CID 114473926
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine (CID 79186666) is 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine is C=C(C)CC(CSc1ccccc1Br)NCCC.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine?
The InChIKey is XTZBKPHDENBQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-4-9-17-13(10-12(2)3)11-18-15-8-6-5-7-14(15)16/h5-8,13,17H,2,4,9-11H2,1,3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine?
1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine has a molecular weight of 328.32 g/mol, XLogP of 4.88, 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-4-methyl-N-propylpent-4-en-2-amine is sourced from PubChem (CID 79186666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).