3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride

C15H26ClNO6 — CID 20833879

IUPAC3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride
SMILESCN(C)CCCO.COc1cc(C(=O)O)cc(OC)c1OC.Cl
InChIInChI=1S/C10H12O5.C5H13NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-6(2)4-3-5-7;/h4-5H,1-3H3,(H,11,12);7H,3-5H2,1-2H3;1H
InChIKeyOSHQYEHPWGZIAC-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.76
Rot. Bonds7

About 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride

3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride (PubChem CID 20833879) has the molecular formula C15H26ClNO6 and a molecular weight of 351.83 g/mol. Its IUPAC name is 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride
PubChem CID20833879
Molecular FormulaC15H26ClNO6
Molecular Weight351.83 g/mol
Exact Mass351.14
IUPAC Name3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride
SMILESCN(C)CCCO.COc1cc(C(=O)O)cc(OC)c1OC.Cl
InChIInChI=1S/C10H12O5.C5H13NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-6(2)4-3-5-7;/h4-5H,1-3H3,(H,11,12);7H,3-5H2,1-2H3;1H
InChIKeyOSHQYEHPWGZIAC-UHFFFAOYSA-N
XLogP1.76
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833884
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
2-[ethyl(2-phenylethyl)amino]ethanol;3,4,5-trimethoxybenzoic acid
CID 21152650
5-[ethyl-[1-(2-methoxyphenyl)propan-2-yl]amino]pentan-1-ol;3,4,5-trimethoxybenzoic acid
CID 21152653
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526
2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 71370887
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-[4-[3-(dimethylamino)propyl]-2-methoxyphenyl]benzoic acid
CID 11616624
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride (CID 20833879) is 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride is CN(C)CCCO.COc1cc(C(=O)O)cc(OC)c1OC.Cl.
What is the InChIKey of 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride?
The InChIKey is OSHQYEHPWGZIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5.C5H13NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-6(2)4-3-5-7;/h4-5H,1-3H3,(H,11,12);7H,3-5H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride?
3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride is sourced from PubChem (CID 20833879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).