2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine

C14H20BrNS — CID 66144073

IUPAC2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
SMILESCNC(CSc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H20BrNS/c1-16-13(11-6-2-3-7-11)10-17-14-9-5-4-8-12(14)15/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3
InChIKeyMWBNAROVPPBJGC-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine

2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine (PubChem CID 66144073) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
PubChem CID66144073
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
SMILESCNC(CSc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H20BrNS/c1-16-13(11-6-2-3-7-11)10-17-14-9-5-4-8-12(14)15/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3
InChIKeyMWBNAROVPPBJGC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
CID 105238114
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
[1-(2-bromophenyl)sulfanyl-3-cyclopentylpropan-2-yl]hydrazine
CID 105238071
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-(4-ethylcyclohexyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 66051356
N-[2-(2-bromophenyl)sulfanylethyl]cycloheptanamine
CID 63515807
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine (CID 66144073) is 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine is CNC(CSc1ccccc1Br)C1CCCC1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine?
The InChIKey is MWBNAROVPPBJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c1-16-13(11-6-2-3-7-11)10-17-14-9-5-4-8-12(14)15/h4-5,8-9,11,13,16H,2-3,6-7,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine?
2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine has a molecular weight of 314.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 66144073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).