3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol

C15H26N2O — CID 116911685

IUPAC3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1ccc(C(C(O)CN)N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)9-12-5-7-13(8-6-12)15(17(3)4)14(18)10-16/h5-8,11,14-15,18H,9-10,16H2,1-4H3
InChIKeyQYCUEMCMCUWPLN-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol

3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol (PubChem CID 116911685) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
PubChem CID116911685
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1ccc(C(C(O)CN)N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)9-12-5-7-13(8-6-12)15(17(3)4)14(18)10-16/h5-8,11,14-15,18H,9-10,16H2,1-4H3
InChIKeyQYCUEMCMCUWPLN-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
CID 116904791
1-(dimethylamino)ethanol;2-[4-(2-methylpropyl)phenyl]propanoic acid;hydrochloride
CID 70389408
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1-(1-chloroethyl)-4-(2-methylpropyl)benzene;1-[4-(2-methylpropyl)phenyl]ethanol;hydrochloride
CID 159111103
1-[1-(aminomethyl)cyclopropyl]-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 116912250
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol (CID 116911685) is 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol is CC(C)Cc1ccc(C(C(O)CN)N(C)C)cc1.
What is the InChIKey of 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is QYCUEMCMCUWPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)9-12-5-7-13(8-6-12)15(17(3)4)14(18)10-16/h5-8,11,14-15,18H,9-10,16H2,1-4H3.
What are the key properties of 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol?
3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 116911685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).