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

C16H17ClFN — CID 105032399

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H17ClFN/c1-10-6-7-11(2)13(8-10)15(19)9-12-4-3-5-14(18)16(12)17/h3-8,15H,9,19H2,1-2H3
InChIKeyXQNXGENUTABPCQ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.34
Rot. Bonds3

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

2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 105032399) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID105032399
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H17ClFN/c1-10-6-7-11(2)13(8-10)15(19)9-12-4-3-5-14(18)16(12)17/h3-8,15H,9,19H2,1-2H3
InChIKeyXQNXGENUTABPCQ-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(3-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 64713976
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine (CID 105032399) is 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)Cc2cccc(F)c2Cl)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is XQNXGENUTABPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-6-7-11(2)13(8-10)15(19)9-12-4-3-5-14(18)16(12)17/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 105032399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).