2-ethylhexyl 2-amino-6-chlorobenzoate

C15H22ClNO2 — CID 63663634

IUPAC2-ethylhexyl 2-amino-6-chlorobenzoate
SMILESCCCCC(CC)COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-3-5-7-11(4-2)10-19-15(18)14-12(16)8-6-9-13(14)17/h6,8-9,11H,3-5,7,10,17H2,1-2H3
InChIKeyFBFVKVJNYOERJW-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.30
Rot. Bonds7

About 2-ethylhexyl 2-amino-6-chlorobenzoate

2-ethylhexyl 2-amino-6-chlorobenzoate (PubChem CID 63663634) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-ethylhexyl 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name2-ethylhexyl 2-amino-6-chlorobenzoate
PubChem CID63663634
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-ethylhexyl 2-amino-6-chlorobenzoate
SMILESCCCCC(CC)COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-3-5-7-11(4-2)10-19-15(18)14-12(16)8-6-9-13(14)17/h6,8-9,11H,3-5,7,10,17H2,1-2H3
InChIKeyFBFVKVJNYOERJW-UHFFFAOYSA-N
XLogP4.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
methyl 2-amino-6-(2-ethylhexoxymethyl)benzoate
CID 104825407
3-chloro-2-(2-ethylhexoxymethyl)aniline
CID 63747486
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156
[2-(butylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63663469
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
4-O-(2,3-dichlorophenyl) 1-O-(2-ethylhexyl) (E)-but-2-enedioate
CID 91734307

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-amino-6-chlorobenzoate?
The IUPAC name of 2-ethylhexyl 2-amino-6-chlorobenzoate (CID 63663634) is 2-ethylhexyl 2-amino-6-chlorobenzoate.
What is the SMILES notation for 2-ethylhexyl 2-amino-6-chlorobenzoate?
The canonical SMILES for 2-ethylhexyl 2-amino-6-chlorobenzoate is CCCCC(CC)COC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-ethylhexyl 2-amino-6-chlorobenzoate?
The InChIKey is FBFVKVJNYOERJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-5-7-11(4-2)10-19-15(18)14-12(16)8-6-9-13(14)17/h6,8-9,11H,3-5,7,10,17H2,1-2H3.
What are the key properties of 2-ethylhexyl 2-amino-6-chlorobenzoate?
2-ethylhexyl 2-amino-6-chlorobenzoate has a molecular weight of 283.80 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-amino-6-chlorobenzoate is sourced from PubChem (CID 63663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).