N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

C18H22FN — CID 115852479

IUPACN-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)c1ccccc1CC
InChIInChI=1S/C18H22FN/c1-4-14-8-6-7-9-17(14)18(20-5-2)16-11-10-15(19)12-13(16)3/h6-12,18,20H,4-5H2,1-3H3
InChIKeyJVJYWHZXDXOPGP-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.40
Rot. Bonds5

About N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115852479) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115852479
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)c1ccccc1CC
InChIInChI=1S/C18H22FN/c1-4-14-8-6-7-9-17(14)18(20-5-2)16-11-10-15(19)12-13(16)3/h6-12,18,20H,4-5H2,1-3H3
InChIKeyJVJYWHZXDXOPGP-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
CID 107515358
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852524
N-[(2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989694

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 115852479) is N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1C)c1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is JVJYWHZXDXOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-14-8-6-7-9-17(14)18(20-5-2)16-11-10-15(19)12-13(16)3/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115852479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).