N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine

C18H22FN — CID 106881342

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H22FN/c1-5-20-18(15-8-6-7-12(2)10-15)17-14(4)9-13(3)11-16(17)19/h6-11,18,20H,5H2,1-4H3
InChIKeyYZUWBQBKCBDEQR-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.45
Rot. Bonds4

About N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine

N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 106881342) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID106881342
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H22FN/c1-5-20-18(15-8-6-7-12(2)10-15)17-14(4)9-13(3)11-16(17)19/h6-11,18,20H,5H2,1-4H3
InChIKeyYZUWBQBKCBDEQR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
N-[(3-bromo-2,6-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 106942276
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106881613
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine (CID 106881342) is N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is YZUWBQBKCBDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-5-20-18(15-8-6-7-12(2)10-15)17-14(4)9-13(3)11-16(17)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106881342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).