(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane

C12H20ClN3O2 — CID 90713192

IUPAC(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane
SMILESCCl.CN[C@@H](COC)C(=O)Nc1ccccc1N
InChIInChI=1S/C11H17N3O2.CH3Cl/c1-13-10(7-16-2)11(15)14-9-6-4-3-5-8(9)12;1-2/h3-6,10,13H,7,12H2,1-2H3,(H,14,15);1H3/t10-;/m0./s1
InChIKeyHXWIMKDWRJKVCB-PPHPATTJSA-N
MW273.76 g/mol
LogP1.30
Rot. Bonds5

About (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane

(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane (PubChem CID 90713192) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane.

Molecular Properties

Compound Name(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane
PubChem CID90713192
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane
SMILESCCl.CN[C@@H](COC)C(=O)Nc1ccccc1N
InChIInChI=1S/C11H17N3O2.CH3Cl/c1-13-10(7-16-2)11(15)14-9-6-4-3-5-8(9)12;1-2/h3-6,10,13H,7,12H2,1-2H3,(H,14,15);1H3/t10-;/m0./s1
InChIKeyHXWIMKDWRJKVCB-PPHPATTJSA-N
XLogP1.30
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;4-chlorobenzene-1,2-diamine;chloromethane;(2S)-3-methoxy-2-(methylamino)propanoic acid
CID 159089155
2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615
N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
CID 54948690
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
tert-butyl N-[(2R)-4-amino-1-(2-aminoanilino)-1,4-dioxobutan-2-yl]carbamate
CID 162387350
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
tert-butyl N-[(2S)-1-(2-amino-5-chloroanilino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 67048338
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane?
The IUPAC name of (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane (CID 90713192) is (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane.
What is the SMILES notation for (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane?
The canonical SMILES for (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane is CCl.CN[C@@H](COC)C(=O)Nc1ccccc1N.
What is the InChIKey of (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane?
The InChIKey is HXWIMKDWRJKVCB-PPHPATTJSA-N. The full InChI is InChI=1S/C11H17N3O2.CH3Cl/c1-13-10(7-16-2)11(15)14-9-6-4-3-5-8(9)12;1-2/h3-6,10,13H,7,12H2,1-2H3,(H,14,15);1H3/t10-;/m0./s1.
What are the key properties of (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane?
(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane has a molecular weight of 273.76 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane is sourced from PubChem (CID 90713192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).