3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide

C16H17ClN2O2 — CID 106485193

IUPAC3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
SMILESNCc1cccc(OCCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-14-6-1-2-7-15(14)19-16(20)8-9-21-13-5-3-4-12(10-13)11-18/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyOEWMMTRSOUIDFN-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.21
Rot. Bonds6

About 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide

3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide (PubChem CID 106485193) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
PubChem CID106485193
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
SMILESNCc1cccc(OCCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-14-6-1-2-7-15(14)19-16(20)8-9-21-13-5-3-4-12(10-13)11-18/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyOEWMMTRSOUIDFN-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901
2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide
CID 106485201
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide (CID 106485193) is 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide is NCc1cccc(OCCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide?
The InChIKey is OEWMMTRSOUIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-6-1-2-7-15(14)19-16(20)8-9-21-13-5-3-4-12(10-13)11-18/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide?
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 106485193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).