2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide

C16H18N2O2 — CID 107229451

IUPAC2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C16H18N2O2/c1-11-3-2-4-14(17)15(11)16(20)18-9-12-5-7-13(10-19)8-6-12/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyQOWQYQSDECRZRV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide

2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide (PubChem CID 107229451) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
PubChem CID107229451
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C16H18N2O2/c1-11-3-2-4-14(17)15(11)16(20)18-9-12-5-7-13(10-19)8-6-12/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyQOWQYQSDECRZRV-UHFFFAOYSA-N
XLogP2.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 107231330
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide (CID 107229451) is 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide?
The InChIKey is QOWQYQSDECRZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-3-2-4-14(17)15(11)16(20)18-9-12-5-7-13(10-19)8-6-12/h2-8,19H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide?
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide is sourced from PubChem (CID 107229451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).