2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine

C18H22FN — CID 63414289

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-4-20-18(16-6-5-7-17(19)12-16)11-15-9-8-13(2)14(3)10-15/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyFALMLMSIUJYYQD-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine

2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine (PubChem CID 63414289) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
PubChem CID63414289
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-4-20-18(16-6-5-7-17(19)12-16)11-15-9-8-13(2)14(3)10-15/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyFALMLMSIUJYYQD-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-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine (CID 63414289) is 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine is CCNC(Cc1ccc(C)c(C)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is FALMLMSIUJYYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-18(16-6-5-7-17(19)12-16)11-15-9-8-13(2)14(3)10-15/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)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 2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63414289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).