3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol

C15H23NO — CID 65188524

IUPAC3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)C2CCC2)cc1C
InChIInChI=1S/C15H23NO/c1-10-6-7-13(8-11(10)2)14(9-16)15(17)12-4-3-5-12/h6-8,12,14-15,17H,3-5,9,16H2,1-2H3
InChIKeyGONSDLIDQKQICU-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol

3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 65188524) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
PubChem CID65188524
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)C2CCC2)cc1C
InChIInChI=1S/C15H23NO/c1-10-6-7-13(8-11(10)2)14(9-16)15(17)12-4-3-5-12/h6-8,12,14-15,17H,3-5,9,16H2,1-2H3
InChIKeyGONSDLIDQKQICU-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
CID 114459281
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
3-amino-2-(3,4-dimethylphenyl)-1-(1,1-dioxothian-2-yl)propan-1-ol
CID 104522717
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol (CID 65188524) is 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)C2CCC2)cc1C.
What is the InChIKey of 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is GONSDLIDQKQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-6-7-13(8-11(10)2)14(9-16)15(17)12-4-3-5-12/h6-8,12,14-15,17H,3-5,9,16H2,1-2H3.
What are the key properties of 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol?
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 65188524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).