2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol

C15H25NO — CID 79052853

IUPAC2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-6-16(7-2)15(4,5)14(17)13-10-8-9-12(3)11-13/h8-11,14,17H,6-7H2,1-5H3
InChIKeyHKBPIPGXUSSWSZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.15
Rot. Bonds5

About 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol

2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol (PubChem CID 79052853) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol
PubChem CID79052853
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-6-16(7-2)15(4,5)14(17)13-10-8-9-12(3)11-13/h8-11,14,17H,6-7H2,1-5H3
InChIKeyHKBPIPGXUSSWSZ-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 79053452
ethyl 3-hydroxy-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 55071318
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
CID 79053451
2,2-dibromo-2-ethylsulfonyl-1-(3-methylphenyl)ethanol
CID 102550411
3-(3-methylphenyl)pentan-2-ol
CID 130543430
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
3-(diethylamino)-3-(3-methylphenyl)propanoic acid
CID 64526213
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 81361333
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol (CID 79052853) is 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol is CCN(CC)C(C)(C)C(O)c1cccc(C)c1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol?
The InChIKey is HKBPIPGXUSSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16(7-2)15(4,5)14(17)13-10-8-9-12(3)11-13/h8-11,14,17H,6-7H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol?
2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 79052853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).