2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine

C16H17F2N — CID 64559658

IUPAC2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-10-5-11(2)7-13(6-10)16(19)8-12-3-4-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyKCEYYXATCSFTBW-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.82
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine

2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 64559658) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID64559658
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-10-5-11(2)7-13(6-10)16(19)8-12-3-4-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyKCEYYXATCSFTBW-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2,4-difluorophenyl)-1-(4-propylphenyl)ethanamine
CID 64559469
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680598
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 64559658) is 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is KCEYYXATCSFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-5-11(2)7-13(6-10)16(19)8-12-3-4-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 64559658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).