methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate

C14H20ClNO2 — CID 54895289

IUPACmethyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-10(2)9-16-14(3,13(17)18-4)11-5-7-12(15)8-6-11/h5-8,10,16H,9H2,1-4H3
InChIKeyLJFYITHXNOXHEX-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate

methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate (PubChem CID 54895289) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
PubChem CID54895289
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-10(2)9-16-14(3,13(17)18-4)11-5-7-12(15)8-6-11/h5-8,10,16H,9H2,1-4H3
InChIKeyLJFYITHXNOXHEX-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241
methyl 2-chloro-2-(4-chlorophenyl)propanoate
CID 19781425
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
methyl 2-(2-methylpropylamino)-2-(3-methylpyrazin-2-yl)propanoate
CID 114080383
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990980

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate (CID 54895289) is methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate is COC(=O)C(C)(NCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate?
The InChIKey is LJFYITHXNOXHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)9-16-14(3,13(17)18-4)11-5-7-12(15)8-6-11/h5-8,10,16H,9H2,1-4H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate?
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate has a molecular weight of 269.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate is sourced from PubChem (CID 54895289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).