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

C14H20FN — CID 65419979

IUPACN-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)C1CC1C
InChIInChI=1S/C14H20FN/c1-4-16-14(12-7-10(12)3)13-8-11(15)6-5-9(13)2/h5-6,8,10,12,14,16H,4,7H2,1-3H3
InChIKeyGOEVPSYPVLZRER-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.44
Rot. Bonds4

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

N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 65419979) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID65419979
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)C1CC1C
InChIInChI=1S/C14H20FN/c1-4-16-14(12-7-10(12)3)13-8-11(15)6-5-9(13)2/h5-6,8,10,12,14,16H,4,7H2,1-3H3
InChIKeyGOEVPSYPVLZRER-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419554

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 65419979) is N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1cc(F)ccc1C)C1CC1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is GOEVPSYPVLZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-16-14(12-7-10(12)3)13-8-11(15)6-5-9(13)2/h5-6,8,10,12,14,16H,4,7H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.44, 4 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)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 65419979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).