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

C16H17ClFN — CID 103053134

IUPAC2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H17ClFN/c1-10-5-11(2)7-13(6-10)16(19)9-12-8-14(17)3-4-15(12)18/h3-8,16H,9,19H2,1-2H3
InChIKeyOGTUCWSZTQPBDN-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.34
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 103053134) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID103053134
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H17ClFN/c1-10-5-11(2)7-13(6-10)16(19)9-12-8-14(17)3-4-15(12)18/h3-8,16H,9,19H2,1-2H3
InChIKeyOGTUCWSZTQPBDN-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-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine
CID 103048688
2-(5-chloro-2-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 103048658
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 103053134) is 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2cc(Cl)ccc2F)c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is OGTUCWSZTQPBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-5-11(2)7-13(6-10)16(19)9-12-8-14(17)3-4-15(12)18/h3-8,16H,9,19H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(3,5-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-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 103053134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).