N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine

C13H16Cl2FN — CID 106365036

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESFc1ccc(Cl)cc1CNC1CCCC1CCl
InChIInChI=1S/C13H16Cl2FN/c14-7-9-2-1-3-13(9)17-8-10-6-11(15)4-5-12(10)16/h4-6,9,13,17H,1-3,7-8H2
InChIKeySDNRLXDUFRRCBC-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.98
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine

N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine (PubChem CID 106365036) has the molecular formula C13H16Cl2FN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
PubChem CID106365036
Molecular FormulaC13H16Cl2FN
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
SMILESFc1ccc(Cl)cc1CNC1CCCC1CCl
InChIInChI=1S/C13H16Cl2FN/c14-7-9-2-1-3-13(9)17-8-10-6-11(15)4-5-12(10)16/h4-6,9,13,17H,1-3,7-8H2
InChIKeySDNRLXDUFRRCBC-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.98
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-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365064
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103047204
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365169
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
CID 106364946

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine (CID 106365036) is N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine is Fc1ccc(Cl)cc1CNC1CCCC1CCl.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
The InChIKey is SDNRLXDUFRRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FN/c14-7-9-2-1-3-13(9)17-8-10-6-11(15)4-5-12(10)16/h4-6,9,13,17H,1-3,7-8H2.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine has a molecular weight of 276.18 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine is sourced from PubChem (CID 106365036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).