2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol

C11H15FN2O — CID 63295068

IUPAC2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol
SMILESNc1c(F)cccc1NCC(O)C1CC1
InChIInChI=1S/C11H15FN2O/c12-8-2-1-3-9(11(8)13)14-6-10(15)7-4-5-7/h1-3,7,10,14-15H,4-6,13H2
InChIKeyFVCJCPZEALTBTI-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol

2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol (PubChem CID 63295068) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol
PubChem CID63295068
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol
SMILESNc1c(F)cccc1NCC(O)C1CC1
InChIInChI=1S/C11H15FN2O/c12-8-2-1-3-9(11(8)13)14-6-10(15)7-4-5-7/h1-3,7,10,14-15H,4-6,13H2
InChIKeyFVCJCPZEALTBTI-UHFFFAOYSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199
2-(2,2-dicyclopropylethylamino)-6-fluorobenzenecarbothioamide
CID 79520182
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466
3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-nitrobenzenesulfonamide
CID 133443248
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
CID 115454133
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133394132
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol?
The IUPAC name of 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol (CID 63295068) is 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol?
The canonical SMILES for 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol is Nc1c(F)cccc1NCC(O)C1CC1.
What is the InChIKey of 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol?
The InChIKey is FVCJCPZEALTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-8-2-1-3-9(11(8)13)14-6-10(15)7-4-5-7/h1-3,7,10,14-15H,4-6,13H2.
What are the key properties of 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol?
2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol has a molecular weight of 210.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol is sourced from PubChem (CID 63295068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).