2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol

C15H25NO — CID 81411321

IUPAC2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
SMILESCCC(NCC(C)(C)CO)c1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-5-14(16-10-15(3,4)11-17)13-8-6-12(2)7-9-13/h6-9,14,16-17H,5,10-11H2,1-4H3
InChIKeyLSUJQPRFEUENKY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds6

About 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol

2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol (PubChem CID 81411321) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
PubChem CID81411321
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
SMILESCCC(NCC(C)(C)CO)c1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-5-14(16-10-15(3,4)11-17)13-8-6-12(2)7-9-13/h6-9,14,16-17H,5,10-11H2,1-4H3
InChIKeyLSUJQPRFEUENKY-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
2-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]phenol
CID 113293714
3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
CID 66169648
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
CID 106250977
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol (CID 81411321) is 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol is CCC(NCC(C)(C)CO)c1ccc(C)cc1.
What is the InChIKey of 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol?
The InChIKey is LSUJQPRFEUENKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14(16-10-15(3,4)11-17)13-8-6-12(2)7-9-13/h6-9,14,16-17H,5,10-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol?
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol is sourced from PubChem (CID 81411321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).