2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol

C16H25NO — CID 54949329

IUPAC2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN(C)CC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-6-8-15(9-7-14)16(18)11-17(3)10-13-4-5-13/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3
InChIKeyONZUMVGTZMEOTO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds6

About 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol

2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 54949329) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID54949329
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN(C)CC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-6-8-15(9-7-14)16(18)11-17(3)10-13-4-5-13/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3
InChIKeyONZUMVGTZMEOTO-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol (CID 54949329) is 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CN(C)CC2CC2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is ONZUMVGTZMEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-6-8-15(9-7-14)16(18)11-17(3)10-13-4-5-13/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 54949329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).