5-(1-fluoroethyl)-2-methylaniline

C9H12FN — CID 84649805

IUPAC5-(1-fluoroethyl)-2-methylaniline
SMILESCc1ccc(C(C)F)cc1N
InChIInChI=1S/C9H12FN/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,11H2,1-2H3
InChIKeyXHWORMKHWRCRRK-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.61
Rot. Bonds1

About 5-(1-fluoroethyl)-2-methylaniline

5-(1-fluoroethyl)-2-methylaniline (PubChem CID 84649805) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-2-methylaniline.

Molecular Properties

Compound Name5-(1-fluoroethyl)-2-methylaniline
PubChem CID84649805
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name5-(1-fluoroethyl)-2-methylaniline
SMILESCc1ccc(C(C)F)cc1N
InChIInChI=1S/C9H12FN/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,11H2,1-2H3
InChIKeyXHWORMKHWRCRRK-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
5-(1-methoxyethyl)-2-methylaniline
CID 102569795
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
CID 117284693
1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
CID 117299425
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794
1-(3-amino-4-methylphenyl)-1-chloropropan-2-one
CID 118815436
4-methylbenzene-1,3-diamine
CID 159171817
(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
CID 100804158
2-(3-amino-4-methylphenyl)butanoic acid
CID 130134794
1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
CID 84774294

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-2-methylaniline?
The IUPAC name of 5-(1-fluoroethyl)-2-methylaniline (CID 84649805) is 5-(1-fluoroethyl)-2-methylaniline.
What is the SMILES notation for 5-(1-fluoroethyl)-2-methylaniline?
The canonical SMILES for 5-(1-fluoroethyl)-2-methylaniline is Cc1ccc(C(C)F)cc1N.
What is the InChIKey of 5-(1-fluoroethyl)-2-methylaniline?
The InChIKey is XHWORMKHWRCRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,11H2,1-2H3.
What are the key properties of 5-(1-fluoroethyl)-2-methylaniline?
5-(1-fluoroethyl)-2-methylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-2-methylaniline is sourced from PubChem (CID 84649805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).