[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol

C11H15FN2O — CID 115454133

IUPAC[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
SMILESNc1c(F)cccc1NCC1(CO)CC1
InChIInChI=1S/C11H15FN2O/c12-8-2-1-3-9(10(8)13)14-6-11(7-15)4-5-11/h1-3,14-15H,4-7,13H2
InChIKeyOEPXSJRDBUYGHD-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.59
Rot. Bonds4

About [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol

[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol (PubChem CID 115454133) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
PubChem CID115454133
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
SMILESNc1c(F)cccc1NCC1(CO)CC1
InChIInChI=1S/C11H15FN2O/c12-8-2-1-3-9(10(8)13)14-6-11(7-15)4-5-11/h1-3,14-15H,4-7,13H2
InChIKeyOEPXSJRDBUYGHD-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

4-[(2-amino-3-fluoroanilino)methyl]oxan-4-ol
CID 81134791
2-amino-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116582
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 113444816
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
CID 115454129
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159
[1-[[(3-fluoro-4-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 164657514
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol (CID 115454133) is [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol is Nc1c(F)cccc1NCC1(CO)CC1.
What is the InChIKey of [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol?
The InChIKey is OEPXSJRDBUYGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-8-2-1-3-9(10(8)13)14-6-11(7-15)4-5-11/h1-3,14-15H,4-7,13H2.
What are the key properties of [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol?
[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol 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 [1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).