ethyl 6-amino-6-(4-chlorophenyl)hexanoate

C14H20ClNO2 — CID 60860824

IUPACethyl 6-amino-6-(4-chlorophenyl)hexanoate
SMILESCCOC(=O)CCCCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-2-18-14(17)6-4-3-5-13(16)11-7-9-12(15)10-8-11/h7-10,13H,2-6,16H2,1H3
InChIKeyFLRXPEDNRNPEEG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.46
Rot. Bonds7

About ethyl 6-amino-6-(4-chlorophenyl)hexanoate

ethyl 6-amino-6-(4-chlorophenyl)hexanoate (PubChem CID 60860824) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 6-amino-6-(4-chlorophenyl)hexanoate.

Molecular Properties

Compound Nameethyl 6-amino-6-(4-chlorophenyl)hexanoate
PubChem CID60860824
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 6-amino-6-(4-chlorophenyl)hexanoate
SMILESCCOC(=O)CCCCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-2-18-14(17)6-4-3-5-13(16)11-7-9-12(15)10-8-11/h7-10,13H,2-6,16H2,1H3
InChIKeyFLRXPEDNRNPEEG-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-amino-6-(4-propan-2-ylphenyl)hexanoate
CID 61023992
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
ethyl 6-amino-6-(2,5-dichlorophenyl)hexanoate
CID 60862342
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
ethyl 5-(4-acetamidophenyl)-5-aminopentanoate
CID 82367101
ethyl 4-amino-4-(4-bromophenyl)butanoate
CID 60861000
ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
CID 54927618
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338
ethyl 6-[bis(4-chlorophenyl)methylamino]hexanoate
CID 4167460
ethyl 6-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanoate
CID 60861991

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-6-(4-chlorophenyl)hexanoate?
The IUPAC name of ethyl 6-amino-6-(4-chlorophenyl)hexanoate (CID 60860824) is ethyl 6-amino-6-(4-chlorophenyl)hexanoate.
What is the SMILES notation for ethyl 6-amino-6-(4-chlorophenyl)hexanoate?
The canonical SMILES for ethyl 6-amino-6-(4-chlorophenyl)hexanoate is CCOC(=O)CCCCC(N)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 6-amino-6-(4-chlorophenyl)hexanoate?
The InChIKey is FLRXPEDNRNPEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-18-14(17)6-4-3-5-13(16)11-7-9-12(15)10-8-11/h7-10,13H,2-6,16H2,1H3.
What are the key properties of ethyl 6-amino-6-(4-chlorophenyl)hexanoate?
ethyl 6-amino-6-(4-chlorophenyl)hexanoate has a molecular weight of 269.77 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-6-(4-chlorophenyl)hexanoate is sourced from PubChem (CID 60860824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).