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

C14H21NO — CID 82114256

IUPAC1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(CN(C)C)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-11-4-6-12(7-5-11)14(16,10-15(2)3)13-8-9-13/h4-7,13,16H,8-10H2,1-3H3
InChIKeyJHTBQHYIXAIWHC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds4

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

1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol (PubChem CID 82114256) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol
PubChem CID82114256
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(CN(C)C)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-11-4-6-12(7-5-11)14(16,10-15(2)3)13-8-9-13/h4-7,13,16H,8-10H2,1-3H3
InChIKeyJHTBQHYIXAIWHC-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol
CID 82114809
2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 87692062
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
CID 19816182
3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 11702664
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide
CID 19992273
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol
CID 158449287

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol (CID 82114256) is 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)(CN(C)C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol?
The InChIKey is JHTBQHYIXAIWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-6-12(7-5-11)14(16,10-15(2)3)13-8-9-13/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol?
1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.15, 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-methylphenyl)ethanol is sourced from PubChem (CID 82114256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).