1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine

C14H22BrNS — CID 64614328

IUPAC1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CSc1ccccc1Br)C(C)(C)C
InChIInChI=1S/C14H22BrNS/c1-5-16-13(14(2,3)4)10-17-12-9-7-6-8-11(12)15/h6-9,13,16H,5,10H2,1-4H3
InChIKeyRXCCYKYOAICVDR-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.57
Rot. Bonds5

About 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine

1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 64614328) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID64614328
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CSc1ccccc1Br)C(C)(C)C
InChIInChI=1S/C14H22BrNS/c1-5-16-13(14(2,3)4)10-17-12-9-7-6-8-11(12)15/h6-9,13,16H,5,10H2,1-4H3
InChIKeyRXCCYKYOAICVDR-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3-dimethyl-1-(2-nitrophenyl)sulfanylbutan-2-amine
CID 64611977
1-(2-bromophenyl)sulfanyl-3,3-dimethylbutan-2-amine
CID 64613503
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 54891491
2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
CID 79601725
1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64619887
6-(2-bromophenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808158
2-(2-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-ethylethanamine
CID 66144476
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 106653493
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine (CID 64614328) is 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(CSc1ccccc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is RXCCYKYOAICVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-5-16-13(14(2,3)4)10-17-12-9-7-6-8-11(12)15/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 316.31 g/mol, XLogP of 4.57, 5 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-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64614328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).