2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol

C13H22N2O2 — CID 170864806

IUPAC2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(CN(C)C)cc(CC(C)N)c1O
InChIInChI=1S/C13H22N2O2/c1-9(14)5-11-6-10(8-15(2)3)7-12(17-4)13(11)16/h6-7,9,16H,5,8,14H2,1-4H3
InChIKeyDMAFVSWUJCJXOS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol

2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol (PubChem CID 170864806) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
PubChem CID170864806
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(CN(C)C)cc(CC(C)N)c1O
InChIInChI=1S/C13H22N2O2/c1-9(14)5-11-6-10(8-15(2)3)7-12(17-4)13(11)16/h6-7,9,16H,5,8,14H2,1-4H3
InChIKeyDMAFVSWUJCJXOS-UHFFFAOYSA-N
XLogP1.35
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117325746
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol
CID 71217119
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol (CID 170864806) is 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol is COc1cc(CN(C)C)cc(CC(C)N)c1O.
What is the InChIKey of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol?
The InChIKey is DMAFVSWUJCJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(14)5-11-6-10(8-15(2)3)7-12(17-4)13(11)16/h6-7,9,16H,5,8,14H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol?
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 170864806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).