N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine

C14H20FN — CID 115968076

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CNC1(C)CCCC1
InChIInChI=1S/C14H20FN/c1-11-5-6-13(15)9-12(11)10-16-14(2)7-3-4-8-14/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyMZTHEYZOBIOTIH-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.56
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine

N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 115968076) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
PubChem CID115968076
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CNC1(C)CCCC1
InChIInChI=1S/C14H20FN/c1-11-5-6-13(15)9-12(11)10-16-14(2)7-3-4-8-14/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyMZTHEYZOBIOTIH-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115967895
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115968246
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
CID 114349116
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
CID 145231296

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine (CID 115968076) is N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine is Cc1ccc(F)cc1CNC1(C)CCCC1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is MZTHEYZOBIOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-5-6-13(15)9-12(11)10-16-14(2)7-3-4-8-14/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 115968076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).