ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate

C17H19ClN2O2 — CID 13174365

IUPACethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16(21)11-20-17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19/h3-10,17,20H,2,11,19H2,1H3
InChIKeyXFTYFHQFGYHBLM-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.16
Rot. Bonds6

About ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate

ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate (PubChem CID 13174365) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
PubChem CID13174365
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16(21)11-20-17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19/h3-10,17,20H,2,11,19H2,1H3
InChIKeyXFTYFHQFGYHBLM-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
ethyl 2-[[(S)-[5-bromo-2-[(3-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 1373172
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
methyl 2-[[(R)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740110
methyl 2-[[(S)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740111
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
CID 3780295
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
ethyl 4-cyano-4-(2,4-dichlorophenyl)-3-phenylbutanoate
CID 20501966
methyl 4-(2-amino-5-chlorophenyl)-3,4-dihydroxybutanoate
CID 171895291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate (CID 13174365) is ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate is CCOC(=O)CNC(c1ccccc1)c1cc(Cl)ccc1N.
What is the InChIKey of ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate?
The InChIKey is XFTYFHQFGYHBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-16(21)11-20-17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19/h3-10,17,20H,2,11,19H2,1H3.
What are the key properties of ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate?
ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate has a molecular weight of 318.80 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate is sourced from PubChem (CID 13174365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).