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

C18H22FN — CID 63420060

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-4-20-18(16-7-5-6-8-17(16)19)12-15-10-9-13(2)14(3)11-15/h5-11,18,20H,4,12H2,1-3H3
InChIKeyVCFCMWOBLMDXBZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine (PubChem CID 63420060) 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-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
PubChem CID63420060
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-4-20-18(16-7-5-6-8-17(16)19)12-15-10-9-13(2)14(3)11-15/h5-11,18,20H,4,12H2,1-3H3
InChIKeyVCFCMWOBLMDXBZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
[2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105215123
N-ethyl-1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine (CID 63420060) is 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine is CCNC(Cc1ccc(C)c(C)c1)c1ccccc1F.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The InChIKey is VCFCMWOBLMDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-20-18(16-7-5-6-8-17(16)19)12-15-10-9-13(2)14(3)11-15/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-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-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 63420060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).