methyl 2-[1-(4-bromophenyl)propylamino]acetate

C12H16BrNO2 — CID 43177477

IUPACmethyl 2-[1-(4-bromophenyl)propylamino]acetate
SMILESCCC(NCC(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-11(14-8-12(15)16-2)9-4-6-10(13)7-5-9/h4-7,11,14H,3,8H2,1-2H3
InChIKeyMRENIHALSBDARH-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds5

About methyl 2-[1-(4-bromophenyl)propylamino]acetate

methyl 2-[1-(4-bromophenyl)propylamino]acetate (PubChem CID 43177477) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is methyl 2-[1-(4-bromophenyl)propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-bromophenyl)propylamino]acetate
PubChem CID43177477
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 2-[1-(4-bromophenyl)propylamino]acetate
SMILESCCC(NCC(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-11(14-8-12(15)16-2)9-4-6-10(13)7-5-9/h4-7,11,14H,3,8H2,1-2H3
InChIKeyMRENIHALSBDARH-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894
methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
CID 9263761
methyl 4-[[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetyl]amino]methyl]benzoate
CID 9263688
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
CID 9263209
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-bromophenyl)propylamino]acetate?
The IUPAC name of methyl 2-[1-(4-bromophenyl)propylamino]acetate (CID 43177477) is methyl 2-[1-(4-bromophenyl)propylamino]acetate.
What is the SMILES notation for methyl 2-[1-(4-bromophenyl)propylamino]acetate?
The canonical SMILES for methyl 2-[1-(4-bromophenyl)propylamino]acetate is CCC(NCC(=O)OC)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[1-(4-bromophenyl)propylamino]acetate?
The InChIKey is MRENIHALSBDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-11(14-8-12(15)16-2)9-4-6-10(13)7-5-9/h4-7,11,14H,3,8H2,1-2H3.
What are the key properties of methyl 2-[1-(4-bromophenyl)propylamino]acetate?
methyl 2-[1-(4-bromophenyl)propylamino]acetate has a molecular weight of 286.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-bromophenyl)propylamino]acetate is sourced from PubChem (CID 43177477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).