N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine

C13H18FN — CID 115968236

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCc1ccc(F)cc1CNC1CC(C)C1
InChIInChI=1S/C13H18FN/c1-9-5-13(6-9)15-8-11-7-12(14)4-3-10(11)2/h3-4,7,9,13,15H,5-6,8H2,1-2H3
InChIKeySUKFDPWHPKOEER-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.02
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine

N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115968236) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115968236
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCc1ccc(F)cc1CNC1CC(C)C1
InChIInChI=1S/C13H18FN/c1-9-5-13(6-9)15-8-11-7-12(14)4-3-10(11)2/h3-4,7,9,13,15H,5-6,8H2,1-2H3
InChIKeySUKFDPWHPKOEER-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
2-[ethyl-[3-[(5-fluoro-2-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042676
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine (CID 115968236) is N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine is Cc1ccc(F)cc1CNC1CC(C)C1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is SUKFDPWHPKOEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-5-13(6-9)15-8-11-7-12(14)4-3-10(11)2/h3-4,7,9,13,15H,5-6,8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.02, 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]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115968236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).