2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine

C16H18FN — CID 61030374

IUPAC2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FN/c1-11-6-12(2)8-13(7-11)9-16(18)14-4-3-5-15(17)10-14/h3-8,10,16H,9,18H2,1-2H3
InChIKeyWLVXORNXGYCAHE-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.69
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine

2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 61030374) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
PubChem CID61030374
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FN/c1-11-6-12(2)8-13(7-11)9-16(18)14-4-3-5-15(17)10-14/h3-8,10,16H,9,18H2,1-2H3
InChIKeyWLVXORNXGYCAHE-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 ≤ 500243.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine (CID 61030374) is 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine is Cc1cc(C)cc(CC(N)c2cccc(F)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is WLVXORNXGYCAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-6-12(2)8-13(7-11)9-16(18)14-4-3-5-15(17)10-14/h3-8,10,16H,9,18H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine?
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 243.32 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 2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 61030374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).