ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate

C14H20ClNO2 — CID 60775299

IUPACethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-4-18-14(17)10-16(11(2)3)9-12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyQAFFLUXECLUEKL-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.11
Rot. Bonds6

About ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate

ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate (PubChem CID 60775299) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
PubChem CID60775299
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-4-18-14(17)10-16(11(2)3)9-12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyQAFFLUXECLUEKL-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
CID 62027570
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
3-[(3-chlorophenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82327708
ethyl 2-[(4-chloro-2-nitrophenyl)methyl-propan-2-ylamino]acetate
CID 62102439
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 90144753
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
CID 78994299

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate (CID 60775299) is ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate?
The InChIKey is QAFFLUXECLUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-18-14(17)10-16(11(2)3)9-12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate has a molecular weight of 269.77 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 60775299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).