(1S)-1-(2-fluoro-5-methylphenyl)ethanamine

C9H12FN — CID 45072344

IUPAC(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c([C@H](C)N)c1
InChIInChI=1S/C9H12FN/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKeyUJADCEWRWSXHES-ZETCQYMHSA-N
MW153.20 g/mol
LogP2.15
Rot. Bonds1

About (1S)-1-(2-fluoro-5-methylphenyl)ethanamine

(1S)-1-(2-fluoro-5-methylphenyl)ethanamine (PubChem CID 45072344) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
PubChem CID45072344
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c([C@H](C)N)c1
InChIInChI=1S/C9H12FN/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKeyUJADCEWRWSXHES-ZETCQYMHSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(1R,2S)-1-amino-1-(2-fluoro-5-methylphenyl)-3-methylbutan-2-ol
CID 131455693
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 131081700
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
CID 138535537

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-5-methylphenyl)ethanamine (CID 45072344) is (1S)-1-(2-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-5-methylphenyl)ethanamine is Cc1ccc(F)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-(2-fluoro-5-methylphenyl)ethanamine?
The InChIKey is UJADCEWRWSXHES-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5,7H,11H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-5-methylphenyl)ethanamine?
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine has a molecular weight of 153.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 45072344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).