2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol

C17H28N2O — CID 102870932

IUPAC2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
SMILESCc1cc(C)cc(C(N)CCN(CCO)C2CCC2)c1
InChIInChI=1S/C17H28N2O/c1-13-10-14(2)12-15(11-13)17(18)6-7-19(8-9-20)16-4-3-5-16/h10-12,16-17,20H,3-9,18H2,1-2H3
InChIKeyUICVOATYSKZJAE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.54
Rot. Bonds7

About 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol

2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol (PubChem CID 102870932) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
PubChem CID102870932
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
SMILESCc1cc(C)cc(C(N)CCN(CCO)C2CCC2)c1
InChIInChI=1S/C17H28N2O/c1-13-10-14(2)12-15(11-13)17(18)6-7-19(8-9-20)16-4-3-5-16/h10-12,16-17,20H,3-9,18H2,1-2H3
InChIKeyUICVOATYSKZJAE-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
CID 102871056
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
CID 102871167
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol
CID 62014088
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 102864574
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol (CID 102870932) is 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol is Cc1cc(C)cc(C(N)CCN(CCO)C2CCC2)c1.
What is the InChIKey of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol?
The InChIKey is UICVOATYSKZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-14(2)12-15(11-13)17(18)6-7-19(8-9-20)16-4-3-5-16/h10-12,16-17,20H,3-9,18H2,1-2H3.
What are the key properties of 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol?
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102870932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).