N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine

C16H24FN — CID 65415800

IUPACN-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1CCC(C)C1
InChIInChI=1S/C16H24FN/c1-4-18-16(13-7-5-11(2)9-13)14-10-12(3)6-8-15(14)17/h6,8,10-11,13,16,18H,4-5,7,9H2,1-3H3
InChIKeyMWWZWCMDBRTZHH-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.22
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine

N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 65415800) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
PubChem CID65415800
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1CCC(C)C1
InChIInChI=1S/C16H24FN/c1-4-18-16(13-7-5-11(2)9-13)14-10-12(3)6-8-15(14)17/h6,8,10-11,13,16,18H,4-5,7,9H2,1-3H3
InChIKeyMWWZWCMDBRTZHH-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
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
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 82822142
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine (CID 65415800) is N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)C1CCC(C)C1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is MWWZWCMDBRTZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-18-16(13-7-5-11(2)9-13)14-10-12(3)6-8-15(14)17/h6,8,10-11,13,16,18H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 65415800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).