1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine

C17H19F2N — CID 81301146

IUPAC1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
SMILESCc1cccc(C)c1CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N/c1-11-5-4-6-12(2)15(11)10-20-13(3)14-7-8-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyPYYADPCAUYJBGX-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.43
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine (PubChem CID 81301146) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
PubChem CID81301146
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
SMILESCc1cccc(C)c1CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N/c1-11-5-4-6-12(2)15(11)10-20-13(3)14-7-8-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyPYYADPCAUYJBGX-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine (CID 81301146) is 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine is Cc1cccc(C)c1CNC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is PYYADPCAUYJBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-5-4-6-12(2)15(11)10-20-13(3)14-7-8-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81301146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).