[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol

C11H13F2NO — CID 116943233

IUPAC[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
SMILESNC(c1ccc(F)cc1F)C1(CO)CC1
InChIInChI=1S/C11H13F2NO/c12-7-1-2-8(9(13)5-7)10(14)11(6-15)3-4-11/h1-2,5,10,15H,3-4,6,14H2
InChIKeyQLRKOAFKLPWXGE-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.74
Rot. Bonds3

About [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol

[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol (PubChem CID 116943233) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
PubChem CID116943233
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
SMILESNC(c1ccc(F)cc1F)C1(CO)CC1
InChIInChI=1S/C11H13F2NO/c12-7-1-2-8(9(13)5-7)10(14)11(6-15)3-4-11/h1-2,5,10,15H,3-4,6,14H2
InChIKeyQLRKOAFKLPWXGE-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943971
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
(2,4-difluorophenyl)methanediamine
CID 116939170
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol (CID 116943233) is [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol is NC(c1ccc(F)cc1F)C1(CO)CC1.
What is the InChIKey of [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol?
The InChIKey is QLRKOAFKLPWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-7-1-2-8(9(13)5-7)10(14)11(6-15)3-4-11/h1-2,5,10,15H,3-4,6,14H2.
What are the key properties of [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol?
[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol has a molecular weight of 213.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116943233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).