(4-methylcyclohexyl) 2-amino-6-chlorobenzoate

C14H18ClNO2 — CID 63662016

IUPAC(4-methylcyclohexyl) 2-amino-6-chlorobenzoate
SMILESCC1CCC(OC(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-9-5-7-10(8-6-9)18-14(17)13-11(15)3-2-4-12(13)16/h2-4,9-10H,5-8,16H2,1H3
InChIKeyUCXHXJHQBABVPK-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.66
Rot. Bonds2

About (4-methylcyclohexyl) 2-amino-6-chlorobenzoate

(4-methylcyclohexyl) 2-amino-6-chlorobenzoate (PubChem CID 63662016) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-amino-6-chlorobenzoate
PubChem CID63662016
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(4-methylcyclohexyl) 2-amino-6-chlorobenzoate
SMILESCC1CCC(OC(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-9-5-7-10(8-6-9)18-14(17)13-11(15)3-2-4-12(13)16/h2-4,9-10H,5-8,16H2,1H3
InChIKeyUCXHXJHQBABVPK-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-amino-6-chlorobenzoate?
The IUPAC name of (4-methylcyclohexyl) 2-amino-6-chlorobenzoate (CID 63662016) is (4-methylcyclohexyl) 2-amino-6-chlorobenzoate.
What is the SMILES notation for (4-methylcyclohexyl) 2-amino-6-chlorobenzoate?
The canonical SMILES for (4-methylcyclohexyl) 2-amino-6-chlorobenzoate is CC1CCC(OC(=O)c2c(N)cccc2Cl)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-amino-6-chlorobenzoate?
The InChIKey is UCXHXJHQBABVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-5-7-10(8-6-9)18-14(17)13-11(15)3-2-4-12(13)16/h2-4,9-10H,5-8,16H2,1H3.
What are the key properties of (4-methylcyclohexyl) 2-amino-6-chlorobenzoate?
(4-methylcyclohexyl) 2-amino-6-chlorobenzoate has a molecular weight of 267.76 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-amino-6-chlorobenzoate is sourced from PubChem (CID 63662016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).