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

C13H18FN — CID 62791719

IUPACN-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1CC1
InChIInChI=1S/C13H18FN/c1-3-15-13(10-5-6-10)11-8-9(2)4-7-12(11)14/h4,7-8,10,13,15H,3,5-6H2,1-2H3
InChIKeyVQDNCBAASVMHEQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.19
Rot. Bonds4

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

N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 62791719) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID62791719
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1CC1
InChIInChI=1S/C13H18FN/c1-3-15-13(10-5-6-10)11-8-9(2)4-7-12(11)14/h4,7-8,10,13,15H,3,5-6H2,1-2H3
InChIKeyVQDNCBAASVMHEQ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 62791719) is N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is VQDNCBAASVMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-15-13(10-5-6-10)11-8-9(2)4-7-12(11)14/h4,7-8,10,13,15H,3,5-6H2,1-2H3.
What are the key properties of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 62791719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).