6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine

C14H18ClNO — CID 543980

IUPAC6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine
SMILESClc1ccc2c(c1)CN(C1CCCCC1)CO2
InChIInChI=1S/C14H18ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2
InChIKeyFGVRQIQTCLJOFW-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.82
Rot. Bonds1

About 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine

6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 543980) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine
PubChem CID543980
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine
SMILESClc1ccc2c(c1)CN(C1CCCCC1)CO2
InChIInChI=1S/C14H18ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2
InChIKeyFGVRQIQTCLJOFW-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine (CID 543980) is 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine is Clc1ccc2c(c1)CN(C1CCCCC1)CO2.
What is the InChIKey of 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is FGVRQIQTCLJOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2.
What are the key properties of 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 251.76 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 543980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).