(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine

C9H11F2N — CID 131226334

IUPAC(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](N)CF)c(F)c1
InChIInChI=1S/C9H11F2N/c1-6-2-3-7(8(11)4-6)9(12)5-10/h2-4,9H,5,12H2,1H3/t9-/m1/s1
InChIKeyDNXAOBXIQWHGGV-SECBINFHSA-N
MW171.19 g/mol
LogP2.10
Rot. Bonds2

About (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine

(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine (PubChem CID 131226334) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
PubChem CID131226334
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](N)CF)c(F)c1
InChIInChI=1S/C9H11F2N/c1-6-2-3-7(8(11)4-6)9(12)5-10/h2-4,9H,5,12H2,1H3/t9-/m1/s1
InChIKeyDNXAOBXIQWHGGV-SECBINFHSA-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

(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
CID 105028201
1-(2-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 105037331
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine (CID 131226334) is (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine is Cc1ccc([C@H](N)CF)c(F)c1.
What is the InChIKey of (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine?
The InChIKey is DNXAOBXIQWHGGV-SECBINFHSA-N. The full InChI is InChI=1S/C9H11F2N/c1-6-2-3-7(8(11)4-6)9(12)5-10/h2-4,9H,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine?
(1S)-2-fluoro-1-(2-fluoro-4-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 (1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 131226334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).