4-(1-cyclopropyl-2-fluoroethyl)aniline

C11H14FN — CID 115015431

IUPAC4-(1-cyclopropyl-2-fluoroethyl)aniline
SMILESNc1ccc(C(CF)C2CC2)cc1
InChIInChI=1S/C11H14FN/c12-7-11(8-1-2-8)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2,7,13H2
InChIKeyLCEXYCZPYHOUMP-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.73
Rot. Bonds3

About 4-(1-cyclopropyl-2-fluoroethyl)aniline

4-(1-cyclopropyl-2-fluoroethyl)aniline (PubChem CID 115015431) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-fluoroethyl)aniline.

Molecular Properties

Compound Name4-(1-cyclopropyl-2-fluoroethyl)aniline
PubChem CID115015431
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name4-(1-cyclopropyl-2-fluoroethyl)aniline
SMILESNc1ccc(C(CF)C2CC2)cc1
InChIInChI=1S/C11H14FN/c12-7-11(8-1-2-8)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2,7,13H2
InChIKeyLCEXYCZPYHOUMP-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.73
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

4,4-Diaminodiphenylmethane
CID 7577
p-Toluidine
CID 7813
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
4-Aminobiphenyl
CID 7102
2-Aminobiphenyl
CID 7015
3,4-Dimethylaniline
CID 7248
4-Isopropylaniline
CID 7464
4-(Trifluoromethyl)aniline
CID 9964
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
2-Ethylaniline
CID 11357
4,4'-Methylenedianiline dihydrochloride
CID 26108

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-fluoroethyl)aniline?
The IUPAC name of 4-(1-cyclopropyl-2-fluoroethyl)aniline (CID 115015431) is 4-(1-cyclopropyl-2-fluoroethyl)aniline.
What is the SMILES notation for 4-(1-cyclopropyl-2-fluoroethyl)aniline?
The canonical SMILES for 4-(1-cyclopropyl-2-fluoroethyl)aniline is Nc1ccc(C(CF)C2CC2)cc1.
What is the InChIKey of 4-(1-cyclopropyl-2-fluoroethyl)aniline?
The InChIKey is LCEXYCZPYHOUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-7-11(8-1-2-8)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2,7,13H2.
What are the key properties of 4-(1-cyclopropyl-2-fluoroethyl)aniline?
4-(1-cyclopropyl-2-fluoroethyl)aniline has a molecular weight of 179.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2-fluoroethyl)aniline is sourced from PubChem (CID 115015431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).