N-[4-(1-aminoethyl)phenyl]acetamide

C10H14N2O — CID 43176128

IUPACN-[4-(1-aminoethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C10H14N2O/c1-7(11)9-3-5-10(6-4-9)12-8(2)13/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyZORYGMLNMVLIDS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.66
Rot. Bonds2

About N-[4-(1-aminoethyl)phenyl]acetamide

N-[4-(1-aminoethyl)phenyl]acetamide (PubChem CID 43176128) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]acetamide
PubChem CID43176128
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[4-(1-aminoethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C10H14N2O/c1-7(11)9-3-5-10(6-4-9)12-8(2)13/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyZORYGMLNMVLIDS-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]acetamide (CID 43176128) is N-[4-(1-aminoethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]acetamide?
The InChIKey is ZORYGMLNMVLIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(11)9-3-5-10(6-4-9)12-8(2)13/h3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of N-[4-(1-aminoethyl)phenyl]acetamide?
N-[4-(1-aminoethyl)phenyl]acetamide has a molecular weight of 178.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]acetamide is sourced from PubChem (CID 43176128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).