3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol

C17H29NO — CID 79062947

IUPAC3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-6-17(5,18(7-2)8-3)16(19)13-15-11-9-14(4)10-12-15/h9-12,16,19H,6-8,13H2,1-5H3
InChIKeyBYTOOAQPQFXYTI-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.41
Rot. Bonds7

About 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol

3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol (PubChem CID 79062947) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
PubChem CID79062947
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-6-17(5,18(7-2)8-3)16(19)13-15-11-9-14(4)10-12-15/h9-12,16,19H,6-8,13H2,1-5H3
InChIKeyBYTOOAQPQFXYTI-UHFFFAOYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2S)-(+)-N-Methylpseudoephedrine
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Alphamethadol hydrochloride, (-)-
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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol?
The IUPAC name of 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol (CID 79062947) is 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol is CCN(CC)C(C)(CC)C(O)Cc1ccc(C)cc1.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol?
The InChIKey is BYTOOAQPQFXYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(5,18(7-2)8-3)16(19)13-15-11-9-14(4)10-12-15/h9-12,16,19H,6-8,13H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol?
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol is sourced from PubChem (CID 79062947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).