1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine

C14H22BrNS — CID 66054722

IUPAC1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
SMILESCCCCC(CSc1ccc(Br)cc1)NCC
InChIInChI=1S/C14H22BrNS/c1-3-5-6-13(16-4-2)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyHCUSHEFQOPYETN-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.71
Rot. Bonds8

About 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine

1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine (PubChem CID 66054722) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
PubChem CID66054722
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
SMILESCCCCC(CSc1ccc(Br)cc1)NCC
InChIInChI=1S/C14H22BrNS/c1-3-5-6-13(16-4-2)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3
InChIKeyHCUSHEFQOPYETN-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-(4-bromophenyl)sulfanylundecan-2-ol
CID 66054287
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine (CID 66054722) is 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine is CCCCC(CSc1ccc(Br)cc1)NCC.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine?
The InChIKey is HCUSHEFQOPYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-5-6-13(16-4-2)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine?
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine has a molecular weight of 316.31 g/mol, XLogP of 4.71, 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-ethylhexan-2-amine is sourced from PubChem (CID 66054722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).