N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine

C13H16BrClFN — CID 106365064

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESFc1cc(Br)ccc1CNC1CCCC1CCl
InChIInChI=1S/C13H16BrClFN/c14-11-5-4-10(12(16)6-11)8-17-13-3-1-2-9(13)7-15/h4-6,9,13,17H,1-3,7-8H2
InChIKeyHBSFPRQCIVKTGG-UHFFFAOYSA-N
MW320.63 g/mol
LogP4.09
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine

N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine (PubChem CID 106365064) has the molecular formula C13H16BrClFN and a molecular weight of 320.63 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
PubChem CID106365064
Molecular FormulaC13H16BrClFN
Molecular Weight320.63 g/mol
Exact Mass319.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESFc1cc(Br)ccc1CNC1CCCC1CCl
InChIInChI=1S/C13H16BrClFN/c14-11-5-4-10(12(16)6-11)8-17-13-3-1-2-9(13)7-15/h4-6,9,13,17H,1-3,7-8H2
InChIKeyHBSFPRQCIVKTGG-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
4-bromo-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 63459847
N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222285
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine (CID 106365064) is N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine is Fc1cc(Br)ccc1CNC1CCCC1CCl.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The InChIKey is HBSFPRQCIVKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClFN/c14-11-5-4-10(12(16)6-11)8-17-13-3-1-2-9(13)7-15/h4-6,9,13,17H,1-3,7-8H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine has a molecular weight of 320.63 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine is sourced from PubChem (CID 106365064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).