2-(4-fluoro-2,6-dimethylphenyl)ethanamine

C10H14FN — CID 55253918

IUPAC2-(4-fluoro-2,6-dimethylphenyl)ethanamine
SMILESCc1cc(F)cc(C)c1CCN
InChIInChI=1S/C10H14FN/c1-7-5-9(11)6-8(2)10(7)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKeyJRAJZXHILZJBBS-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.94
Rot. Bonds2

About 2-(4-fluoro-2,6-dimethylphenyl)ethanamine

2-(4-fluoro-2,6-dimethylphenyl)ethanamine (PubChem CID 55253918) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(4-fluoro-2,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2,6-dimethylphenyl)ethanamine
PubChem CID55253918
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(4-fluoro-2,6-dimethylphenyl)ethanamine
SMILESCc1cc(F)cc(C)c1CCN
InChIInChI=1S/C10H14FN/c1-7-5-9(11)6-8(2)10(7)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKeyJRAJZXHILZJBBS-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
CID 84768579
(4-fluoro-2,6-dimethylphenyl)methanethiol
CID 178171119
5-fluoro-2-[4-[7-[4-(4-fluoro-2,6-dimethylphenyl)-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-1,3-dimethylbenzene
CID 144502251
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
3-(2-aminoethyl)-5-fluoro-7-methyl-1-benzothiophene-2-carbonitrile;hydrochloride
CID 135380478
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
CID 84669167
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
4-(2-aminoethyl)-3,5-difluoro-N,N-dimethylaniline
CID 10774393

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-fluoro-2,6-dimethylphenyl)ethanamine (CID 55253918) is 2-(4-fluoro-2,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2,6-dimethylphenyl)ethanamine is Cc1cc(F)cc(C)c1CCN.
What is the InChIKey of 2-(4-fluoro-2,6-dimethylphenyl)ethanamine?
The InChIKey is JRAJZXHILZJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-5-9(11)6-8(2)10(7)3-4-12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(4-fluoro-2,6-dimethylphenyl)ethanamine?
2-(4-fluoro-2,6-dimethylphenyl)ethanamine has a molecular weight of 167.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 55253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).