N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine

C18H22FN — CID 60819420

IUPACN-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccc(C)c(F)c1
InChIInChI=1S/C18H22FN/c1-4-20-18(12-15-8-6-5-7-13(15)2)16-10-9-14(3)17(19)11-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyHZILSSVESQKJFC-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine

N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 60819420) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
PubChem CID60819420
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccc(C)c(F)c1
InChIInChI=1S/C18H22FN/c1-4-20-18(12-15-8-6-5-7-13(15)2)16-10-9-14(3)17(19)11-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyHZILSSVESQKJFC-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63020070
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine (CID 60819420) is N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is HZILSSVESQKJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-18(12-15-8-6-5-7-13(15)2)16-10-9-14(3)17(19)11-16/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine?
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 60819420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).