N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine

C14H19ClFN — CID 107411830

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C14H19ClFN/c1-10-2-3-11(6-10)8-17-9-12-4-5-13(15)14(16)7-12/h4-5,7,10-11,17H,2-3,6,8-9H2,1H3
InChIKeyFUBSWYABYONTOX-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.00
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411830) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107411830
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C14H19ClFN/c1-10-2-3-11(6-10)8-17-9-12-4-5-13(15)14(16)7-12/h4-5,7,10-11,17H,2-3,6,8-9H2,1H3
InChIKeyFUBSWYABYONTOX-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411764
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
methyl 2-fluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 106700027
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
N-[(4-chloro-3-nitrophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 78971596
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107411830) is N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is FUBSWYABYONTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-2-3-11(6-10)8-17-9-12-4-5-13(15)14(16)7-12/h4-5,7,10-11,17H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 255.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).