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

C17H27NO — CID 55125907

IUPAC2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN(C)CC2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-9-16(10-8-15)17(19)12-18(3)11-14-5-4-6-14/h7-10,13-14,17,19H,4-6,11-12H2,1-3H3
InChIKeyGCWPPJNDTWRZGC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds6

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

2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 55125907) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID55125907
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN(C)CC2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-9-16(10-8-15)17(19)12-18(3)11-14-5-4-6-14/h7-10,13-14,17,19H,4-6,11-12H2,1-3H3
InChIKeyGCWPPJNDTWRZGC-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol (CID 55125907) is 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CN(C)CC2CCC2)cc1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is GCWPPJNDTWRZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-7-9-16(10-8-15)17(19)12-18(3)11-14-5-4-6-14/h7-10,13-14,17,19H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 55125907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).