4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol

C15H25NO — CID 21025

IUPAC4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CN(C)C)cc(C(C)C)c1O
InChIInChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3
InChIKeyDEYFSRVIHDNQHT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds4

About 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol

4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol (PubChem CID 21025) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol
PubChem CID21025
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CN(C)C)cc(C(C)C)c1O
InChIInChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3
InChIKeyDEYFSRVIHDNQHT-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tolterodine
CID 443879
2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
CID 66609
Candicine
CID 23135
4-((Dimethylamino)methyl)phenol
CID 32895
2-((Dimethylamino)methyl)phenol
CID 32897
Bialamicol
CID 10304
LY 231617
CID 3968
Biallylamicol dihydrochlorde
CID 23616896
4,4'-(1-Methylethylidene)bis(2,6-bis((dimethylamino)methyl)phenol
CID 167520
4-[[Bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
CID 612906
2-(diethylaminomethyl)-4-[(E)-4-[3-(diethylaminomethyl)-4-hydroxyphenyl]hex-3-en-3-yl]phenol
CID 5473838

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol (CID 21025) is 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(CN(C)C)cc(C(C)C)c1O.
What is the InChIKey of 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is DEYFSRVIHDNQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3.
What are the key properties of 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol?
4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 235.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 21025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).