2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol

C15H27N3O — CID 71217119

IUPAC2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol
SMILESCC(N)Cc1cc(CC(C)N)c(O)c(CN(C)C)c1
InChIInChI=1S/C15H27N3O/c1-10(16)5-12-7-13(6-11(2)17)15(19)14(8-12)9-18(3)4/h7-8,10-11,19H,5-6,9,16-17H2,1-4H3
InChIKeyWGFHIVYQZPXGFG-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.23
Rot. Bonds6

About 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol

2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol (PubChem CID 71217119) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol
PubChem CID71217119
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol
SMILESCC(N)Cc1cc(CC(C)N)c(O)c(CN(C)C)c1
InChIInChI=1S/C15H27N3O/c1-10(16)5-12-7-13(6-11(2)17)15(19)14(8-12)9-18(3)4/h7-8,10-11,19H,5-6,9,16-17H2,1-4H3
InChIKeyWGFHIVYQZPXGFG-UHFFFAOYSA-N
XLogP1.23
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117325746
2,6-bis[(dimethylamino)methyl]-4-[(2R)-2-methylbutyl]phenol
CID 40800557
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
CID 170864806
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
thiocyanic acid;2,4,6-tris[(dimethylamino)methyl]phenol
CID 87898895
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
2,3,4-tris[(dimethylamino)methyl]phenol;2,4,6-tris[(dimethylamino)methyl]phenol
CID 160526541
2,4,6-tris[(2-aminopropylamino)methyl]phenol
CID 122573668
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol?
The IUPAC name of 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol (CID 71217119) is 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol.
What is the SMILES notation for 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol?
The canonical SMILES for 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol is CC(N)Cc1cc(CC(C)N)c(O)c(CN(C)C)c1.
What is the InChIKey of 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol?
The InChIKey is WGFHIVYQZPXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(16)5-12-7-13(6-11(2)17)15(19)14(8-12)9-18(3)4/h7-8,10-11,19H,5-6,9,16-17H2,1-4H3.
What are the key properties of 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol?
2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol has a molecular weight of 265.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol is sourced from PubChem (CID 71217119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).