N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine

C14H20FN — CID 107416779

IUPACN-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-11-3-2-4-13(11)10-16-9-12-5-7-14(15)8-6-12/h5-8,11,13,16H,2-4,9-10H2,1H3
InChIKeyMDIFIWKCNXPCAE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.35
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine

N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine (PubChem CID 107416779) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
PubChem CID107416779
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-11-3-2-4-13(11)10-16-9-12-5-7-14(15)8-6-12/h5-8,11,13,16H,2-4,9-10H2,1H3
InChIKeyMDIFIWKCNXPCAE-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine (CID 107416779) is N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine is CC1CCCC1CNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The InChIKey is MDIFIWKCNXPCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-3-2-4-13(11)10-16-9-12-5-7-14(15)8-6-12/h5-8,11,13,16H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107416779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).