2-(4-cyclopropylphenyl)-2-(methylamino)ethanol

C12H17NO — CID 79980509

IUPAC2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1ccc(C2CC2)cc1
InChIInChI=1S/C12H17NO/c1-13-12(8-14)11-6-4-10(5-7-11)9-2-3-9/h4-7,9,12-14H,2-3,8H2,1H3
InChIKeyVPJIADZBCUKTJQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol

2-(4-cyclopropylphenyl)-2-(methylamino)ethanol (PubChem CID 79980509) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
PubChem CID79980509
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1ccc(C2CC2)cc1
InChIInChI=1S/C12H17NO/c1-13-12(8-14)11-6-4-10(5-7-11)9-2-3-9/h4-7,9,12-14H,2-3,8H2,1H3
InChIKeyVPJIADZBCUKTJQ-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol
CID 79973388
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
CID 79979786
4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
CID 116955276
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol (CID 79980509) is 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol is CNC(CO)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol?
The InChIKey is VPJIADZBCUKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-12(8-14)11-6-4-10(5-7-11)9-2-3-9/h4-7,9,12-14H,2-3,8H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol?
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 79980509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).