2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol

C15H26N2O — CID 116911554

IUPAC2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol
SMILESCCC(C)c1ccc(C(C(N)CO)N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-11(2)12-6-8-13(9-7-12)15(17(3)4)14(16)10-18/h6-9,11,14-15,18H,5,10,16H2,1-4H3
InChIKeyVCIXJBPKIHXFCZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds6

About 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol

2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 116911554) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID116911554
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol
SMILESCCC(C)c1ccc(C(C(N)CO)N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-11(2)12-6-8-13(9-7-12)15(17(3)4)14(16)10-18/h6-9,11,14-15,18H,5,10,16H2,1-4H3
InChIKeyVCIXJBPKIHXFCZ-UHFFFAOYSA-N
XLogP2.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(dimethylamino)-3-(4-ethylphenyl)propan-1-ol
CID 116911531
2-[(4-butan-2-ylphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913691
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-1-chloro-N,N-dimethylmethanamine
CID 116915181
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911318
2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116913308
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116911635

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol (CID 116911554) is 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol is CCC(C)c1ccc(C(C(N)CO)N(C)C)cc1.
What is the InChIKey of 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is VCIXJBPKIHXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-11(2)12-6-8-13(9-7-12)15(17(3)4)14(16)10-18/h6-9,11,14-15,18H,5,10,16H2,1-4H3.
What are the key properties of 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol?
2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 116911554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).