N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

C15H21BrClN — CID 66159387

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2cc(Cl)ccc2Br)C1C
InChIInChI=1S/C15H21BrClN/c1-3-11-4-7-15(10(11)2)18-9-12-8-13(17)5-6-14(12)16/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyXCQAGEYPHLAQSH-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.02
Rot. Bonds4

About N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 66159387) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID66159387
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2cc(Cl)ccc2Br)C1C
InChIInChI=1S/C15H21BrClN/c1-3-11-4-7-15(10(11)2)18-9-12-8-13(17)5-6-14(12)16/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyXCQAGEYPHLAQSH-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64923688
N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 66160658
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 114452932
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
N-[(2-bromo-5-chlorophenyl)methyl]thiolan-3-amine
CID 103707744

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 66159387) is N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCc2cc(Cl)ccc2Br)C1C.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is XCQAGEYPHLAQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-3-11-4-7-15(10(11)2)18-9-12-8-13(17)5-6-14(12)16/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 330.70 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 66159387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).