2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

C16H18N2O2 — CID 107210221

IUPAC2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESNc1cccc(CC(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C16H18N2O2/c17-15-6-2-3-12(8-15)9-16(20)18-10-13-4-1-5-14(7-13)11-19/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyMBDGISHNIMWFTK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.62
Rot. Bonds5

About 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 107210221) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID107210221
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESNc1cccc(CC(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C16H18N2O2/c17-15-6-2-3-12(8-15)9-16(20)18-10-13-4-1-5-14(7-13)11-19/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyMBDGISHNIMWFTK-UHFFFAOYSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.62
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

N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107210228
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
2-[3-(hydroxymethyl)phenyl]acetohydrazide
CID 153495753
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (CID 107210221) is 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is Nc1cccc(CC(=O)NCc2cccc(CO)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is MBDGISHNIMWFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-15-6-2-3-12(8-15)9-16(20)18-10-13-4-1-5-14(7-13)11-19/h1-8,19H,9-11,17H2,(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 270.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 107210221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).