[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol

C12H17FN2O2 — CID 107259483

IUPAC[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
SMILESCOc1cc(NCC2(CO)CC2)c(F)cc1N
InChIInChI=1S/C12H17FN2O2/c1-17-11-5-10(8(13)4-9(11)14)15-6-12(7-16)2-3-12/h4-5,15-16H,2-3,6-7,14H2,1H3
InChIKeyJMAYJVVNQCGRJY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.60
Rot. Bonds5

About [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol

[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol (PubChem CID 107259483) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
PubChem CID107259483
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
SMILESCOc1cc(NCC2(CO)CC2)c(F)cc1N
InChIInChI=1S/C12H17FN2O2/c1-17-11-5-10(8(13)4-9(11)14)15-6-12(7-16)2-3-12/h4-5,15-16H,2-3,6-7,14H2,1H3
InChIKeyJMAYJVVNQCGRJY-UHFFFAOYSA-N
XLogP1.60
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
1-N-[(2,2-dimethylcyclopropyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 114107445
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
2-amino-5-[(1-ethylcyclopropyl)methylamino]-4-fluorobenzoic acid
CID 114101743
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[(2-amino-5-bromo-4-fluoroanilino)methyl]cyclohexyl]methanol
CID 116736218

Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol (CID 107259483) is [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol is COc1cc(NCC2(CO)CC2)c(F)cc1N.
What is the InChIKey of [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol?
The InChIKey is JMAYJVVNQCGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-11-5-10(8(13)4-9(11)14)15-6-12(7-16)2-3-12/h4-5,15-16H,2-3,6-7,14H2,1H3.
What are the key properties of [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol?
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol has a molecular weight of 240.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 107259483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).