1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine

C13H17BrClN — CID 107991787

IUPAC1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1Br)C1CCCC1
InChIInChI=1S/C13H17BrClN/c1-16-13(9-4-2-3-5-9)11-7-6-10(15)8-12(11)14/h6-9,13,16H,2-5H2,1H3
InChIKeyZSGPSLLUXLSSRK-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.55
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine

1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine (PubChem CID 107991787) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
PubChem CID107991787
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1Br)C1CCCC1
InChIInChI=1S/C13H17BrClN/c1-16-13(9-4-2-3-5-9)11-7-6-10(15)8-12(11)14/h6-9,13,16H,2-5H2,1H3
InChIKeyZSGPSLLUXLSSRK-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 107993641
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 114981468
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine (CID 107991787) is 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine is CNC(c1ccc(Cl)cc1Br)C1CCCC1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine?
The InChIKey is ZSGPSLLUXLSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c1-16-13(9-4-2-3-5-9)11-7-6-10(15)8-12(11)14/h6-9,13,16H,2-5H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine?
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine has a molecular weight of 302.64 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 107991787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).