1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine

C15H22BrNS — CID 66142536

IUPAC1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
SMILESC=CCCC(CSc1ccccc1Br)NCCC
InChIInChI=1S/C15H22BrNS/c1-3-5-8-13(17-11-4-2)12-18-15-10-7-6-9-14(15)16/h3,6-7,9-10,13,17H,1,4-5,8,11-12H2,2H3
InChIKeyRJDQYBXFIYZUOP-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.88
Rot. Bonds9

About 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine

1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine (PubChem CID 66142536) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
PubChem CID66142536
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
SMILESC=CCCC(CSc1ccccc1Br)NCCC
InChIInChI=1S/C15H22BrNS/c1-3-5-8-13(17-11-4-2)12-18-15-10-7-6-9-14(15)16/h3,6-7,9-10,13,17H,1,4-5,8,11-12H2,2H3
InChIKeyRJDQYBXFIYZUOP-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186666
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
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
1-(3-bromophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66159440
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79445979
1-tert-butylsulfanyl-N-propylhex-5-en-2-amine
CID 65132303
1-(4-chlorophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66143217
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine (CID 66142536) is 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine is C=CCCC(CSc1ccccc1Br)NCCC.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine?
The InChIKey is RJDQYBXFIYZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-3-5-8-13(17-11-4-2)12-18-15-10-7-6-9-14(15)16/h3,6-7,9-10,13,17H,1,4-5,8,11-12H2,2H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine?
1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine has a molecular weight of 328.32 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 66142536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).