2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

C16H18FN — CID 82023265

IUPAC2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C(CN)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FN/c1-11-3-4-14(9-12(11)2)16(10-18)13-5-7-15(17)8-6-13/h3-9,16H,10,18H2,1-2H3
InChIKeyVIYWEPHWEWLAQY-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.53
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 82023265) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID82023265
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C(CN)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FN/c1-11-3-4-14(9-12(11)2)16(10-18)13-5-7-15(17)8-6-13/h3-9,16H,10,18H2,1-2H3
InChIKeyVIYWEPHWEWLAQY-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986428
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
CID 55014937
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-(4-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82023273
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine
CID 172604544
2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
CID 83930930
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (CID 82023265) is 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is Cc1ccc(C(CN)c2ccc(F)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is VIYWEPHWEWLAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-3-4-14(9-12(11)2)16(10-18)13-5-7-15(17)8-6-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 82023265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).