1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

C16H18FN — CID 43198585

IUPAC1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN/c1-11-3-4-12(2)15(9-11)16(18)10-13-5-7-14(17)8-6-13/h3-9,16H,10,18H2,1-2H3
InChIKeyZYOWZQOABNQDLK-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.69
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine

1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 43198585) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID43198585
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN/c1-11-3-4-12(2)15(9-11)16(18)10-13-5-7-14(17)8-6-13/h3-9,16H,10,18H2,1-2H3
InChIKeyZYOWZQOABNQDLK-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63463078
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine (CID 43198585) is 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is Cc1ccc(C)c(C(N)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is ZYOWZQOABNQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-3-4-12(2)15(9-11)16(18)10-13-5-7-14(17)8-6-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine?
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 243.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43198585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).