1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine

C13H18FN — CID 115967889

IUPAC1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)cc1CNC(C)C1CC1
InChIInChI=1S/C13H18FN/c1-9-3-6-13(14)7-12(9)8-15-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyLQIPEYAGJINUKC-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.02
Rot. Bonds4

About 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine

1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115967889) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115967889
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)cc1CNC(C)C1CC1
InChIInChI=1S/C13H18FN/c1-9-3-6-13(14)7-12(9)8-15-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyLQIPEYAGJINUKC-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine (CID 115967889) is 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine is Cc1ccc(F)cc1CNC(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is LQIPEYAGJINUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-3-6-13(14)7-12(9)8-15-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115967889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).