1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol

C13H18FNO — CID 111858608

IUPAC1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1cccc(F)c1)CC(O)C1CC1
InChIInChI=1S/C13H18FNO/c1-15(9-13(16)11-5-6-11)8-10-3-2-4-12(14)7-10/h2-4,7,11,13,16H,5-6,8-9H2,1H3
InChIKeyGGTRYYJZRANKKI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds5

About 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol

1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol (PubChem CID 111858608) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
PubChem CID111858608
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1cccc(F)c1)CC(O)C1CC1
InChIInChI=1S/C13H18FNO/c1-15(9-13(16)11-5-6-11)8-10-3-2-4-12(14)7-10/h2-4,7,11,13,16H,5-6,8-9H2,1H3
InChIKeyGGTRYYJZRANKKI-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655
4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
CID 111858640
methyl 4-[(3-fluorophenyl)methyl-methylamino]-3-hydroxybutanoate
CID 115123397
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66454766
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol (CID 111858608) is 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol is CN(Cc1cccc(F)c1)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol?
The InChIKey is GGTRYYJZRANKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15(9-13(16)11-5-6-11)8-10-3-2-4-12(14)7-10/h2-4,7,11,13,16H,5-6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol?
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 111858608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).