ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate

C16H22BrNO2 — CID 60998155

IUPACethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1Br
InChIInChI=1S/C16H22BrNO2/c1-3-20-15(19)16(2,18-12-8-4-5-9-12)13-10-6-7-11-14(13)17/h6-7,10-12,18H,3-5,8-9H2,1-2H3
InChIKeyWWJULHSTLPALGC-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.76
Rot. Bonds5

About ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate

ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate (PubChem CID 60998155) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
PubChem CID60998155
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Nameethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccccc1Br
InChIInChI=1S/C16H22BrNO2/c1-3-20-15(19)16(2,18-12-8-4-5-9-12)13-10-6-7-11-14(13)17/h6-7,10-12,18H,3-5,8-9H2,1-2H3
InChIKeyWWJULHSTLPALGC-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-(2-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993773
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
ethyl 2-(3-azidopropylamino)-2-(2-bromophenyl)propanoate
CID 66190529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate?
The IUPAC name of ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate (CID 60998155) is ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate?
The canonical SMILES for ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate is CCOC(=O)C(C)(NC1CCCC1)c1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate?
The InChIKey is WWJULHSTLPALGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-20-15(19)16(2,18-12-8-4-5-9-12)13-10-6-7-11-14(13)17/h6-7,10-12,18H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate?
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate has a molecular weight of 340.26 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate is sourced from PubChem (CID 60998155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).