2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol

C19H23NO — CID 63182335

IUPAC2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
SMILESCc1ccc(C2CC(NC(CO)c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO/c1-14-7-9-15(10-8-14)17-11-18(12-17)20-19(13-21)16-5-3-2-4-6-16/h2-10,17-21H,11-13H2,1H3
InChIKeyCMCNUQLGRNQIHT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.56
Rot. Bonds5

About 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol

2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol (PubChem CID 63182335) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
PubChem CID63182335
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
SMILESCc1ccc(C2CC(NC(CO)c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO/c1-14-7-9-15(10-8-14)17-11-18(12-17)20-19(13-21)16-5-3-2-4-6-16/h2-10,17-21H,11-13H2,1H3
InChIKeyCMCNUQLGRNQIHT-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-fluorophenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182164
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-[[3-(4-methylphenyl)cyclobutyl]amino]propanoic acid
CID 54959235
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632713
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol (CID 63182335) is 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol is Cc1ccc(C2CC(NC(CO)c3ccccc3)C2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol?
The InChIKey is CMCNUQLGRNQIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-9-15(10-8-14)17-11-18(12-17)20-19(13-21)16-5-3-2-4-6-16/h2-10,17-21H,11-13H2,1H3.
What are the key properties of 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol?
2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol has a molecular weight of 281.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol is sourced from PubChem (CID 63182335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).