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

C17H26FN — CID 115852769

IUPACN-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1(CC)CCCC1
InChIInChI=1S/C17H26FN/c1-4-17(10-6-7-11-17)16(19-5-2)14-12-13(3)8-9-15(14)18/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyDECKBTNAMZAVMV-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.76
Rot. Bonds5

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

N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 115852769) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID115852769
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1(CC)CCCC1
InChIInChI=1S/C17H26FN/c1-4-17(10-6-7-11-17)16(19-5-2)14-12-13(3)8-9-15(14)18/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyDECKBTNAMZAVMV-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 105011844
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 105027220
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830046
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107515341
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
1-N-ethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053417
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 115852769) is N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)C1(CC)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is DECKBTNAMZAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-4-17(10-6-7-11-17)16(19-5-2)14-12-13(3)8-9-15(14)18/h8-9,12,16,19H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115852769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).