1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine

C16H26BrNS — CID 82922636

IUPAC1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
SMILESCCNC(CSc1ccccc1Br)CC(CC)CC
InChIInChI=1S/C16H26BrNS/c1-4-13(5-2)11-14(18-6-3)12-19-16-10-8-7-9-15(16)17/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyZFLKELBWDHRXAG-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.35
Rot. Bonds9

About 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine

1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine (PubChem CID 82922636) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
PubChem CID82922636
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
SMILESCCNC(CSc1ccccc1Br)CC(CC)CC
InChIInChI=1S/C16H26BrNS/c1-4-13(5-2)11-14(18-6-3)12-19-16-10-8-7-9-15(16)17/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyZFLKELBWDHRXAG-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-amine
CID 82922352
1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
CID 66145054
6-(2-bromophenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808158
1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 66143893
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
CID 79601725

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine (CID 82922636) is 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine is CCNC(CSc1ccccc1Br)CC(CC)CC.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine?
The InChIKey is ZFLKELBWDHRXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-4-13(5-2)11-14(18-6-3)12-19-16-10-8-7-9-15(16)17/h7-10,13-14,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine?
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine has a molecular weight of 344.36 g/mol, XLogP of 5.35, 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,4-diethylhexan-2-amine is sourced from PubChem (CID 82922636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).