(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate

C15H20ClNO2 — CID 64774861

IUPAC(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate
SMILESCCC1CCC(OC(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-10-3-6-12(7-4-10)19-15(18)13-9-11(16)5-8-14(13)17/h5,8-10,12H,2-4,6-7,17H2,1H3
InChIKeyGCJUJWAZIDFZDI-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.05
Rot. Bonds3

About (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate

(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate (PubChem CID 64774861) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate.

Molecular Properties

Compound Name(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate
PubChem CID64774861
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate
SMILESCCC1CCC(OC(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C15H20ClNO2/c1-2-10-3-6-12(7-4-10)19-15(18)13-9-11(16)5-8-14(13)17/h5,8-10,12H,2-4,6-7,17H2,1H3
InChIKeyGCJUJWAZIDFZDI-UHFFFAOYSA-N
XLogP4.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.05
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

(4-methylcyclohexyl) 2-amino-5-chlorobenzoate
CID 63446664
(4-ethylcyclohexyl) 4-amino-3-fluorobenzoate
CID 64776901
(4-ethylcyclohexyl) 3-amino-2-methylbenzoate
CID 64774862
(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
CID 64773835
(4-methylcyclohexyl) 5-chloro-2-fluorobenzoate
CID 60674778
hexyl 2-amino-5-chlorobenzoate
CID 63447328
(4-ethylcyclohexyl) 5-amino-1-benzothiophene-2-carboxylate
CID 64776497
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
(1-methoxy-1-oxopropan-2-yl) 2-amino-5-chlorobenzoate
CID 54941726
2-methylsulfonylethyl 2-amino-5-chlorobenzoate
CID 61321513

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate?
The IUPAC name of (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate (CID 64774861) is (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate.
What is the SMILES notation for (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate?
The canonical SMILES for (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate is CCC1CCC(OC(=O)c2cc(Cl)ccc2N)CC1.
What is the InChIKey of (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate?
The InChIKey is GCJUJWAZIDFZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-10-3-6-12(7-4-10)19-15(18)13-9-11(16)5-8-14(13)17/h5,8-10,12H,2-4,6-7,17H2,1H3.
What are the key properties of (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate?
(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate has a molecular weight of 281.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl) 2-amino-5-chlorobenzoate is sourced from PubChem (CID 64774861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).