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

C13H22N2O — CID 117318763

IUPAC2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
SMILESCc1cc(CC(C)N)c(O)c(CN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-9-5-11(7-10(2)14)13(16)12(6-9)8-15(3)4/h5-6,10,16H,7-8,14H2,1-4H3
InChIKeyLFGDAHYYIXLSOW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds4

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

2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol (PubChem CID 117318763) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
PubChem CID117318763
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
SMILESCc1cc(CC(C)N)c(O)c(CN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-9-5-11(7-10(2)14)13(16)12(6-9)8-15(3)4/h5-6,10,16H,7-8,14H2,1-4H3
InChIKeyLFGDAHYYIXLSOW-UHFFFAOYSA-N
XLogP1.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol
CID 71217119
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117325746
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
CID 170864806
2-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]acetic acid
CID 82392010
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
3-(2-aminopropyl)-2-chloro-5-methylphenol
CID 117288920
2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
CID 15769042
2,6-bis[(dimethylamino)methyl]-4-[(2R)-2-methylbutyl]phenol
CID 40800557
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
1-(2,3,5-trimethylphenyl)propan-2-amine
CID 117277671
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 59798709

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol?
The IUPAC name of 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol (CID 117318763) is 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol?
The canonical SMILES for 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol is Cc1cc(CC(C)N)c(O)c(CN(C)C)c1.
What is the InChIKey of 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol?
The InChIKey is LFGDAHYYIXLSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-5-11(7-10(2)14)13(16)12(6-9)8-15(3)4/h5-6,10,16H,7-8,14H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol?
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol has a molecular weight of 222.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol is sourced from PubChem (CID 117318763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).