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

C14H20FN — CID 63822886

IUPAC1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2ccccc2F)CCCC1
InChIInChI=1S/C14H20FN/c1-14(8-4-5-9-14)11-16-10-12-6-2-3-7-13(12)15/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyKHLAEHTXMBSADP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.50
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 63822886) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID63822886
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2ccccc2F)CCCC1
InChIInChI=1S/C14H20FN/c1-14(8-4-5-9-14)11-16-10-12-6-2-3-7-13(12)15/h2-3,6-7,16H,4-5,8-11H2,1H3
InChIKeyKHLAEHTXMBSADP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984685
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 63822886) is 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is CC1(CNCc2ccccc2F)CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is KHLAEHTXMBSADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(8-4-5-9-14)11-16-10-12-6-2-3-7-13(12)15/h2-3,6-7,16H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 63822886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).