2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide

C16H17ClN2O2 — CID 115951957

IUPAC2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
SMILESCC(Oc1c(Cl)cccc1CN)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-11(16(20)19-13-7-3-2-4-8-13)21-15-12(10-18)6-5-9-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyHCVRKSJWDZJBJV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide

2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide (PubChem CID 115951957) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
PubChem CID115951957
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
SMILESCC(Oc1c(Cl)cccc1CN)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-11(16(20)19-13-7-3-2-4-8-13)21-15-12(10-18)6-5-9-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyHCVRKSJWDZJBJV-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
2-(4-chloro-3-fluorophenoxy)-N-phenylpropanamide
CID 82705817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide (CID 115951957) is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide is CC(Oc1c(Cl)cccc1CN)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide?
The InChIKey is HCVRKSJWDZJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(16(20)19-13-7-3-2-4-8-13)21-15-12(10-18)6-5-9-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide?
2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide has a molecular weight of 304.78 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide is sourced from PubChem (CID 115951957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).