4-[3-(dimethylamino)propyl]-3-methoxyphenol

C12H19NO2 — CID 170865239

IUPAC4-[3-(dimethylamino)propyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1CCCN(C)C
InChIInChI=1S/C12H19NO2/c1-13(2)8-4-5-10-6-7-11(14)9-12(10)15-3/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyAVGAHPKEQCMMBD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds5

About 4-[3-(dimethylamino)propyl]-3-methoxyphenol

4-[3-(dimethylamino)propyl]-3-methoxyphenol (PubChem CID 170865239) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-3-methoxyphenol
PubChem CID170865239
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[3-(dimethylamino)propyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1CCCN(C)C
InChIInChI=1S/C12H19NO2/c1-13(2)8-4-5-10-6-7-11(14)9-12(10)15-3/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyAVGAHPKEQCMMBD-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
3-(2-methoxy-4-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865540
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
2-[3-(dimethylamino)propyl]-5-fluorophenol
CID 170865708
2,4-dibromo-6-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865443
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
CID 172870671
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
3-[4-[3-(dimethylamino)propoxy]-2-methoxyphenyl]propyl 3-oxobutanoate
CID 174647024
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-3-methoxyphenol?
The IUPAC name of 4-[3-(dimethylamino)propyl]-3-methoxyphenol (CID 170865239) is 4-[3-(dimethylamino)propyl]-3-methoxyphenol.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-3-methoxyphenol?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-3-methoxyphenol is COc1cc(O)ccc1CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-3-methoxyphenol?
The InChIKey is AVGAHPKEQCMMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13(2)8-4-5-10-6-7-11(14)9-12(10)15-3/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-3-methoxyphenol?
4-[3-(dimethylamino)propyl]-3-methoxyphenol has a molecular weight of 209.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-3-methoxyphenol is sourced from PubChem (CID 170865239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).