2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine

C9H11F2N — CID 112562567

IUPAC2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(F)CN
InChIInChI=1S/C9H11F2N/c1-6-2-3-7(10)4-8(6)9(11)5-12/h2-4,9H,5,12H2,1H3
InChIKeyLEQJUHYUCJMFIX-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.10
Rot. Bonds2

About 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine

2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 112562567) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID112562567
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(F)CN
InChIInChI=1S/C9H11F2N/c1-6-2-3-7(10)4-8(6)9(11)5-12/h2-4,9H,5,12H2,1H3
InChIKeyLEQJUHYUCJMFIX-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 114075463
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
CID 79616557

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine (CID 112562567) is 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1C(F)CN.
What is the InChIKey of 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is LEQJUHYUCJMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-6-2-3-7(10)4-8(6)9(11)5-12/h2-4,9H,5,12H2,1H3.
What are the key properties of 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine?
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 112562567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).