N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide

C12H17ClN2O2 — CID 95464919

IUPACN-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCN)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-17-11-4-3-9(7-10(11)13)8-12(16)15-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyCKRIRIAXMUALSE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.36
Rot. Bonds6

About N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide

N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide (PubChem CID 95464919) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
PubChem CID95464919
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCN)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-17-11-4-3-9(7-10(11)13)8-12(16)15-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyCKRIRIAXMUALSE-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
2-(3-chloro-4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844806
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
CID 66552642
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
CID 84613813

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide (CID 95464919) is N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCN)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide?
The InChIKey is CKRIRIAXMUALSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-17-11-4-3-9(7-10(11)13)8-12(16)15-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide?
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.36, 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 95464919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).