1-(2,6-dimethylphenyl)-2-fluoroethanamine

C10H14FN — CID 130061517

IUPAC1-(2,6-dimethylphenyl)-2-fluoroethanamine
SMILESCc1cccc(C)c1C(N)CF
InChIInChI=1S/C10H14FN/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5,9H,6,12H2,1-2H3
InChIKeyVOQXEYXVABNMGX-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.27
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-2-fluoroethanamine

1-(2,6-dimethylphenyl)-2-fluoroethanamine (PubChem CID 130061517) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-fluoroethanamine
PubChem CID130061517
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(2,6-dimethylphenyl)-2-fluoroethanamine
SMILESCc1cccc(C)c1C(N)CF
InChIInChI=1S/C10H14FN/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5,9H,6,12H2,1-2H3
InChIKeyVOQXEYXVABNMGX-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204326
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;cobalt
CID 66809098
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium
CID 87161798
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253539

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-fluoroethanamine?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-fluoroethanamine (CID 130061517) is 1-(2,6-dimethylphenyl)-2-fluoroethanamine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-fluoroethanamine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-fluoroethanamine is Cc1cccc(C)c1C(N)CF.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-fluoroethanamine?
The InChIKey is VOQXEYXVABNMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5,9H,6,12H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2-fluoroethanamine?
1-(2,6-dimethylphenyl)-2-fluoroethanamine has a molecular weight of 167.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-fluoroethanamine is sourced from PubChem (CID 130061517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).