(2-ethylcyclohexyl) 2-amino-3-methylbenzoate

C16H23NO2 — CID 63446967

IUPAC(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
SMILESCCC1CCCCC1OC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H23NO2/c1-3-12-8-4-5-10-14(12)19-16(18)13-9-6-7-11(2)15(13)17/h6-7,9,12,14H,3-5,8,10,17H2,1-2H3
InChIKeyKGDYLCCAUARDFW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.70
Rot. Bonds3

About (2-ethylcyclohexyl) 2-amino-3-methylbenzoate

(2-ethylcyclohexyl) 2-amino-3-methylbenzoate (PubChem CID 63446967) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
PubChem CID63446967
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-ethylcyclohexyl) 2-amino-3-methylbenzoate
SMILESCCC1CCCCC1OC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H23NO2/c1-3-12-8-4-5-10-14(12)19-16(18)13-9-6-7-11(2)15(13)17/h6-7,9,12,14H,3-5,8,10,17H2,1-2H3
InChIKeyKGDYLCCAUARDFW-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.70
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

(2-ethylcyclohexyl) 2-amino-3-bromobenzoate
CID 63539694
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
(2-ethylcyclohexyl) 2-amino-6-methoxybenzoate
CID 81414121
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
(2-ethylcyclohexyl) 5-amino-2-(dimethylamino)benzoate
CID 61308311
(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501
(2-ethylcyclohexyl) 2-amino-5-nitrobenzoate
CID 63540450
(2-ethylcyclohexyl) 6-fluoropyridine-2-carboxylate
CID 115498887
(2-ethylcyclohexyl) 3-aminothiophene-2-carboxylate
CID 61308692
methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate
CID 115935649
ethyl 2-amino-3-[(2-ethylcyclohexyl)amino]benzoate
CID 115545224
(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate
CID 113240762

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-amino-3-methylbenzoate?
The IUPAC name of (2-ethylcyclohexyl) 2-amino-3-methylbenzoate (CID 63446967) is (2-ethylcyclohexyl) 2-amino-3-methylbenzoate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-amino-3-methylbenzoate?
The canonical SMILES for (2-ethylcyclohexyl) 2-amino-3-methylbenzoate is CCC1CCCCC1OC(=O)c1cccc(C)c1N.
What is the InChIKey of (2-ethylcyclohexyl) 2-amino-3-methylbenzoate?
The InChIKey is KGDYLCCAUARDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12-8-4-5-10-14(12)19-16(18)13-9-6-7-11(2)15(13)17/h6-7,9,12,14H,3-5,8,10,17H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 2-amino-3-methylbenzoate?
(2-ethylcyclohexyl) 2-amino-3-methylbenzoate has a molecular weight of 261.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-amino-3-methylbenzoate is sourced from PubChem (CID 63446967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).