2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol

C13H18FNO — CID 115898278

IUPAC2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
SMILESCc1cc(C(NCCO)C2CC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-8-11(4-5-12(9)14)13(10-2-3-10)15-6-7-16/h4-5,8,10,13,15-16H,2-3,6-7H2,1H3
InChIKeyULFKMBCFBNMYOY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds5

About 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol

2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol (PubChem CID 115898278) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
PubChem CID115898278
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
SMILESCc1cc(C(NCCO)C2CC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-8-11(4-5-12(9)14)13(10-2-3-10)15-6-7-16/h4-5,8,10,13,15-16H,2-3,6-7H2,1H3
InChIKeyULFKMBCFBNMYOY-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112
[(4-fluoro-3-methylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232186
2-[[cyclopropyl(pyridin-4-yl)methyl]amino]ethanol
CID 121230237
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 119121939
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
2-[[(4-bromo-2,5-difluorophenyl)-cyclopropylmethyl]amino]ethanol
CID 138026647

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol (CID 115898278) is 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol is Cc1cc(C(NCCO)C2CC2)ccc1F.
What is the InChIKey of 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol?
The InChIKey is ULFKMBCFBNMYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-8-11(4-5-12(9)14)13(10-2-3-10)15-6-7-16/h4-5,8,10,13,15-16H,2-3,6-7H2,1H3.
What are the key properties of 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol?
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 115898278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).