methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride

C10H15ClN2O2 — CID 174634423

IUPACmethyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
SMILESCOC(=O)CN(CN)c1ccccc1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-14-10(13)7-12(8-11)9-5-3-2-4-6-9;/h2-6H,7-8,11H2,1H3;1H
InChIKeyCYUGJVHSPYKTEE-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride

methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride (PubChem CID 174634423) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
PubChem CID174634423
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Namemethyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
SMILESCOC(=O)CN(CN)c1ccccc1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-14-10(13)7-12(8-11)9-5-3-2-4-6-9;/h2-6H,7-8,11H2,1H3;1H
InChIKeyCYUGJVHSPYKTEE-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
methyl 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)acetate
CID 12801053
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
methyl 2-(N-(4-nitrophenyl)anilino)acetate
CID 54362794
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride?
The IUPAC name of methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride (CID 174634423) is methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride is COC(=O)CN(CN)c1ccccc1.Cl.
What is the InChIKey of methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride?
The InChIKey is CYUGJVHSPYKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-14-10(13)7-12(8-11)9-5-3-2-4-6-9;/h2-6H,7-8,11H2,1H3;1H.
What are the key properties of methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride?
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride is sourced from PubChem (CID 174634423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).