N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide

C13H19ClN2O2 — CID 95474116

IUPACN-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)NCCN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)18-12-4-3-10(7-11(12)14)8-13(17)16-6-5-15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyVASHLHKFSFIHEK-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.74
Rot. Bonds6

About N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide

N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide (PubChem CID 95474116) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
PubChem CID95474116
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)NCCN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)18-12-4-3-10(7-11(12)14)8-13(17)16-6-5-15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyVASHLHKFSFIHEK-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
CID 110782158
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
CID 43712013

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide (CID 95474116) is N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(CC(=O)NCCN)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide?
The InChIKey is VASHLHKFSFIHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)18-12-4-3-10(7-11(12)14)8-13(17)16-6-5-15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide?
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 95474116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).