1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol

C13H18FNO — CID 82114809

IUPAC1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol
SMILESCN(C)CC(O)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H18FNO/c1-15(2)9-13(16,10-3-4-10)11-5-7-12(14)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyNZNHDHZPQMILTP-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.98
Rot. Bonds4

About 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol

1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol (PubChem CID 82114809) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol
PubChem CID82114809
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol
SMILESCN(C)CC(O)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H18FNO/c1-15(2)9-13(16,10-3-4-10)11-5-7-12(14)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyNZNHDHZPQMILTP-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol
CID 82114256
1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol
CID 4304537
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
2-cyclopropyl-2-(4-fluorophenyl)propan-1-amine
CID 83830466
1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103911427
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol
CID 64919767
2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
CID 112567178
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
CID 82115239

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol (CID 82114809) is 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol is CN(C)CC(O)(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol?
The InChIKey is NZNHDHZPQMILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15(2)9-13(16,10-3-4-10)11-5-7-12(14)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol?
1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol has a molecular weight of 223.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 82114809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).