methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate

C12H16BrNO2 — CID 60788201

IUPACmethyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
SMILESCCNC(C)(C(=O)OC)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-4-14-12(2,11(15)16-3)9-6-5-7-10(13)8-9/h5-8,14H,4H2,1-3H3
InChIKeyLAJNOQJNSBONCC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.45
Rot. Bonds4

About methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate

methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate (PubChem CID 60788201) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
PubChem CID60788201
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
SMILESCCNC(C)(C(=O)OC)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-4-14-12(2,11(15)16-3)9-6-5-7-10(13)8-9/h5-8,14H,4H2,1-3H3
InChIKeyLAJNOQJNSBONCC-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
methyl 4-amino-2-(3-bromophenyl)-2-methylbutanoate
CID 158531044
ethyl 2-(3-bromophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367212
methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
CID 60992627
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
methyl 4-bromo-2-(3-bromophenyl)-2-methylbutanoate
CID 171077124
methyl (2S)-2-(3-bromophenyl)-2,3,3,3-tetrafluoropropanoate
CID 125050386
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
2-(3-bromophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341232

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate?
The IUPAC name of methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate (CID 60788201) is methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate is CCNC(C)(C(=O)OC)c1cccc(Br)c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate?
The InChIKey is LAJNOQJNSBONCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-4-14-12(2,11(15)16-3)9-6-5-7-10(13)8-9/h5-8,14H,4H2,1-3H3.
What are the key properties of methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate?
methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate has a molecular weight of 286.17 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate is sourced from PubChem (CID 60788201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).