methyl 2-(benzylamino)-2-phenylacetate;hydrochloride

C16H18ClNO2 — CID 12677532

IUPACmethyl 2-(benzylamino)-2-phenylacetate;hydrochloride
SMILESCOC(=O)C(NCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13;/h2-11,15,17H,12H2,1H3;1H
InChIKeyPETPOPHARBPDEH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.11
Rot. Bonds5

About methyl 2-(benzylamino)-2-phenylacetate;hydrochloride

methyl 2-(benzylamino)-2-phenylacetate;hydrochloride (PubChem CID 12677532) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is methyl 2-(benzylamino)-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-2-phenylacetate;hydrochloride
PubChem CID12677532
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-(benzylamino)-2-phenylacetate;hydrochloride
SMILESCOC(=O)C(NCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13;/h2-11,15,17H,12H2,1H3;1H
InChIKeyPETPOPHARBPDEH-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)acetate
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methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
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dimethyl 2-(benzylamino)propanedioate
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methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
CID 101379126
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
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methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-2-phenylacetate;hydrochloride?
The IUPAC name of methyl 2-(benzylamino)-2-phenylacetate;hydrochloride (CID 12677532) is methyl 2-(benzylamino)-2-phenylacetate;hydrochloride.
What is the SMILES notation for methyl 2-(benzylamino)-2-phenylacetate;hydrochloride?
The canonical SMILES for methyl 2-(benzylamino)-2-phenylacetate;hydrochloride is COC(=O)C(NCc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of methyl 2-(benzylamino)-2-phenylacetate;hydrochloride?
The InChIKey is PETPOPHARBPDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13;/h2-11,15,17H,12H2,1H3;1H.
What are the key properties of methyl 2-(benzylamino)-2-phenylacetate;hydrochloride?
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-2-phenylacetate;hydrochloride is sourced from PubChem (CID 12677532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).