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

C12H16FN — CID 115968089

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1ccc(F)cc1CNC1CC1C
InChIInChI=1S/C12H16FN/c1-8-3-4-11(13)6-10(8)7-14-12-5-9(12)2/h3-4,6,9,12,14H,5,7H2,1-2H3
InChIKeyXPQOHMJYFPVOCH-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.63
Rot. Bonds3

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

N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 115968089) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID115968089
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1ccc(F)cc1CNC1CC1C
InChIInChI=1S/C12H16FN/c1-8-3-4-11(13)6-10(8)7-14-12-5-9(12)2/h3-4,6,9,12,14H,5,7H2,1-2H3
InChIKeyXPQOHMJYFPVOCH-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
N-[(5-fluoro-2-methylphenyl)methyl]cyclohex-2-en-1-amine
CID 115968267
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
CID 145231296
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine (CID 115968089) is N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine is Cc1ccc(F)cc1CNC1CC1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is XPQOHMJYFPVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-3-4-11(13)6-10(8)7-14-12-5-9(12)2/h3-4,6,9,12,14H,5,7H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.63, 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]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 115968089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).