1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine

C14H19ClFN — CID 114349116

IUPAC1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(F)ccc1CNC1(CCl)CCCC1
InChIInChI=1S/C14H19ClFN/c1-11-8-13(16)5-4-12(11)9-17-14(10-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyZCLMGWWSHGAWMU-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.78
Rot. Bonds4

About 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine

1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 114349116) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID114349116
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(F)ccc1CNC1(CCl)CCCC1
InChIInChI=1S/C14H19ClFN/c1-11-8-13(16)5-4-12(11)9-17-14(10-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyZCLMGWWSHGAWMU-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.78
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

1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
CID 106869831
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115732717
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclopentan-1-amine
CID 107887426

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine (CID 114349116) is 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine is Cc1cc(F)ccc1CNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is ZCLMGWWSHGAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-11-8-13(16)5-4-12(11)9-17-14(10-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine?
1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114349116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).