3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol

C14H23NO3 — CID 116907711

IUPAC3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1cc(C)c(C(CCO)N(C)C)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10-8-11(17-4)9-13(18-5)14(10)12(6-7-16)15(2)3/h8-9,12,16H,6-7H2,1-5H3
InChIKeyHQXMZCMCAMSOEB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.00
Rot. Bonds6

About 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol

3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 116907711) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID116907711
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1cc(C)c(C(CCO)N(C)C)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10-8-11(17-4)9-13(18-5)14(10)12(6-7-16)15(2)3/h8-9,12,16H,6-7H2,1-5H3
InChIKeyHQXMZCMCAMSOEB-UHFFFAOYSA-N
XLogP2.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide
CID 116860900
3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
CID 83940208
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904559
3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116909948
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol (CID 116907711) is 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol is COc1cc(C)c(C(CCO)N(C)C)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is HQXMZCMCAMSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-8-11(17-4)9-13(18-5)14(10)12(6-7-16)15(2)3/h8-9,12,16H,6-7H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol?
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 116907711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).