1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine

C16H26BrNS — CID 66055914

IUPAC1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)CSc1ccc(Br)cc1
InChIInChI=1S/C16H26BrNS/c1-5-18-14(10-11-16(2,3)4)12-19-15-8-6-13(17)7-9-15/h6-9,14,18H,5,10-12H2,1-4H3
InChIKeyDOVJTOAYLKTWOQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.35
Rot. Bonds7

About 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine

1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine (PubChem CID 66055914) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
PubChem CID66055914
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)CSc1ccc(Br)cc1
InChIInChI=1S/C16H26BrNS/c1-5-18-14(10-11-16(2,3)4)12-19-15-8-6-13(17)7-9-15/h6-9,14,18H,5,10-12H2,1-4H3
InChIKeyDOVJTOAYLKTWOQ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
CID 105235987
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
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-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66055710
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine (CID 66055914) is 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine is CCNC(CCC(C)(C)C)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine?
The InChIKey is DOVJTOAYLKTWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-5-18-14(10-11-16(2,3)4)12-19-15-8-6-13(17)7-9-15/h6-9,14,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine?
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine has a molecular weight of 344.36 g/mol, XLogP of 5.35, 7 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-ethyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 66055914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).