4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide

C16H19N3O2 — CID 107231465

IUPAC4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-18-16(21)13-6-7-14(17)15(8-13)19-9-11-2-4-12(10-20)5-3-11/h2-8,19-20H,9-10,17H2,1H3,(H,18,21)
InChIKeyABEZVGFPNRVBOE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds5

About 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide

4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide (PubChem CID 107231465) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
PubChem CID107231465
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-18-16(21)13-6-7-14(17)15(8-13)19-9-11-2-4-12(10-20)5-3-11/h2-8,19-20H,9-10,17H2,1H3,(H,18,21)
InChIKeyABEZVGFPNRVBOE-UHFFFAOYSA-N
XLogP1.73
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 63357258
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
ethyl 4-amino-3-[(4-methylphenyl)methylamino]benzoate
CID 82778563
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide (CID 107231465) is 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCc2ccc(CO)cc2)c1.
What is the InChIKey of 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide?
The InChIKey is ABEZVGFPNRVBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-16(21)13-6-7-14(17)15(8-13)19-9-11-2-4-12(10-20)5-3-11/h2-8,19-20H,9-10,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide?
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide is sourced from PubChem (CID 107231465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).