2-amino-4-[(dibenzylamino)methyl]phenol

C21H22N2O — CID 130157268

IUPAC2-amino-4-[(dibenzylamino)methyl]phenol
SMILESNc1cc(CN(Cc2ccccc2)Cc2ccccc2)ccc1O
InChIInChI=1S/C21H22N2O/c22-20-13-19(11-12-21(20)24)16-23(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,24H,14-16,22H2
InChIKeyFDDJRYFAQZNBLM-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.18
Rot. Bonds6

About 2-amino-4-[(dibenzylamino)methyl]phenol

2-amino-4-[(dibenzylamino)methyl]phenol (PubChem CID 130157268) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-amino-4-[(dibenzylamino)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(dibenzylamino)methyl]phenol
PubChem CID130157268
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-amino-4-[(dibenzylamino)methyl]phenol
SMILESNc1cc(CN(Cc2ccccc2)Cc2ccccc2)ccc1O
InChIInChI=1S/C21H22N2O/c22-20-13-19(11-12-21(20)24)16-23(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,24H,14-16,22H2
InChIKeyFDDJRYFAQZNBLM-UHFFFAOYSA-N
XLogP4.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
2-[(dibenzylamino)methyl]-4,5-dimethylphenol
CID 71582739
2-amino-4-(hydroxymethyl)phenol
CID 12000270
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
2-amino-4-[(3-aminophenyl)methyl]phenol
CID 23106855
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
CID 62114410
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43376088

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(dibenzylamino)methyl]phenol?
The IUPAC name of 2-amino-4-[(dibenzylamino)methyl]phenol (CID 130157268) is 2-amino-4-[(dibenzylamino)methyl]phenol.
What is the SMILES notation for 2-amino-4-[(dibenzylamino)methyl]phenol?
The canonical SMILES for 2-amino-4-[(dibenzylamino)methyl]phenol is Nc1cc(CN(Cc2ccccc2)Cc2ccccc2)ccc1O.
What is the InChIKey of 2-amino-4-[(dibenzylamino)methyl]phenol?
The InChIKey is FDDJRYFAQZNBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c22-20-13-19(11-12-21(20)24)16-23(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,24H,14-16,22H2.
What are the key properties of 2-amino-4-[(dibenzylamino)methyl]phenol?
2-amino-4-[(dibenzylamino)methyl]phenol has a molecular weight of 318.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(dibenzylamino)methyl]phenol is sourced from PubChem (CID 130157268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).