N-[[4-(aminomethyl)phenyl]methyl]acetamide

C10H14N2O — CID 60919098

IUPACN-[[4-(aminomethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyLMWLRQKZZZGYDQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.78
Rot. Bonds3

About N-[[4-(aminomethyl)phenyl]methyl]acetamide

N-[[4-(aminomethyl)phenyl]methyl]acetamide (PubChem CID 60919098) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]acetamide
PubChem CID60919098
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyLMWLRQKZZZGYDQ-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]acetamide (CID 60919098) is N-[[4-(aminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]acetamide?
The InChIKey is LMWLRQKZZZGYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2-5H,6-7,11H2,1H3,(H,12,13).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]acetamide?
N-[[4-(aminomethyl)phenyl]methyl]acetamide has a molecular weight of 178.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60919098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).