(2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide

C11H15ClN2O2 — CID 141153245

IUPAC(2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1C[C@H](CN)C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-16-10-3-2-9(12)5-7(10)4-8(6-13)11(14)15/h2-3,5,8H,4,6,13H2,1H3,(H2,14,15)/t8-/m1/s1
InChIKeyGMJHRTAJKUDTHJ-MRVPVSSYSA-N
MW242.71 g/mol
LogP0.95
Rot. Bonds5

About (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide

(2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 141153245) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID141153245
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1C[C@H](CN)C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-16-10-3-2-9(12)5-7(10)4-8(6-13)11(14)15/h2-3,5,8H,4,6,13H2,1H3,(H2,14,15)/t8-/m1/s1
InChIKeyGMJHRTAJKUDTHJ-MRVPVSSYSA-N
XLogP0.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid
CID 98822940
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
CID 104844961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide (CID 141153245) is (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1C[C@H](CN)C(N)=O.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is GMJHRTAJKUDTHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-10-3-2-9(12)5-7(10)4-8(6-13)11(14)15/h2-3,5,8H,4,6,13H2,1H3,(H2,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide?
(2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 242.71 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 141153245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).