2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol

C15H25NO — CID 82312487

IUPAC2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCCC(C)NC(C)C(O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H25NO/c1-6-12(4)16-13(5)15(17)14-8-7-10(2)11(3)9-14/h7-9,12-13,15-17H,6H2,1-5H3
InChIKeyHMRWSBYHUFDIDP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol

2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 82312487) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
PubChem CID82312487
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
SMILESCCC(C)NC(C)C(O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H25NO/c1-6-12(4)16-13(5)15(17)14-8-7-10(2)11(3)9-14/h7-9,12-13,15-17H,6H2,1-5H3
InChIKeyHMRWSBYHUFDIDP-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
methyl 3-(butan-2-ylamino)-4-(3,4-dimethylphenyl)-4-hydroxybutanoate
CID 82347627
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82312509
2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 82315664
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
CID 105402863
2-[(3,4-dimethylphenyl)-hydroxymethyl]butanenitrile
CID 79136546
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]-2-methylphenol
CID 110186079
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol (CID 82312487) is 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol is CCC(C)NC(C)C(O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is HMRWSBYHUFDIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-12(4)16-13(5)15(17)14-8-7-10(2)11(3)9-14/h7-9,12-13,15-17H,6H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol?
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).