(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine

C9H11FN2O2 — CID 159158940

IUPAC(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine
SMILESCc1cc([N+](=O)[O-])cc([C@@H](C)N)c1F
InChIInChI=1S/C9H11FN2O2/c1-5-3-7(12(13)14)4-8(6(2)11)9(5)10/h3-4,6H,11H2,1-2H3/t6-/m1/s1
InChIKeyKKGGBVBHKXRLJC-ZCFIWIBFSA-N
MW198.20 g/mol
LogP2.06
Rot. Bonds2

About (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine

(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine (PubChem CID 159158940) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine
PubChem CID159158940
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine
SMILESCc1cc([N+](=O)[O-])cc([C@@H](C)N)c1F
InChIInChI=1S/C9H11FN2O2/c1-5-3-7(12(13)14)4-8(6(2)11)9(5)10/h3-4,6H,11H2,1-2H3/t6-/m1/s1
InChIKeyKKGGBVBHKXRLJC-ZCFIWIBFSA-N
XLogP2.06
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-6-fluoro-4-nitrophenol
CID 117289050
2-fluoro-3-methyl-5-nitroaniline
CID 130935349
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
2-fluoro-3-methyl-5-nitrobenzenethiol
CID 130926055
(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825087
1,3-dimethyl-5-nitro-2-propan-2-ylbenzene
CID 58451641
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-(2-methylpropoxy)ethyl 2-fluoro-3-methyl-5-nitrobenzoate
CID 106450497
3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
2-[(1S)-1-aminoethyl]-4-nitrophenol;hydrochloride
CID 171217252
2-fluoro-3-methyl-N-(2-methylpropoxy)-5-nitrobenzamide
CID 103297655

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine?
The IUPAC name of (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine (CID 159158940) is (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine is Cc1cc([N+](=O)[O-])cc([C@@H](C)N)c1F.
What is the InChIKey of (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine?
The InChIKey is KKGGBVBHKXRLJC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5-3-7(12(13)14)4-8(6(2)11)9(5)10/h3-4,6H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine?
(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine has a molecular weight of 198.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine is sourced from PubChem (CID 159158940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).