8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C14H18ClNO2 — CID 146485394

IUPAC8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1c(Cl)cccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18ClNO2/c1-11-12(15)3-2-4-13(11)16-7-5-14(6-8-16)17-9-10-18-14/h2-4H,5-10H2,1H3
InChIKeyKEXQSFPUYTVAJO-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.99
Rot. Bonds1

About 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 146485394) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID146485394
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1c(Cl)cccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18ClNO2/c1-11-12(15)3-2-4-13(11)16-7-5-14(6-8-16)17-9-10-18-14/h2-4H,5-10H2,1H3
InChIKeyKEXQSFPUYTVAJO-UHFFFAOYSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 146485394) is 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is Cc1c(Cl)cccc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KEXQSFPUYTVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11-12(15)3-2-4-13(11)16-7-5-14(6-8-16)17-9-10-18-14/h2-4H,5-10H2,1H3.
What are the key properties of 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 267.76 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 146485394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).