2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

C18H17NO2 — CID 151067036

IUPAC2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
SMILESc1ccc2c(Oc3cc4c(o3)CCCNC4)cccc2c1
InChIInChI=1S/C18H17NO2/c1-2-7-15-13(5-1)6-3-8-17(15)21-18-11-14-12-19-10-4-9-16(14)20-18/h1-3,5-8,11,19H,4,9-10,12H2
InChIKeyMHIMZWGKYZNKFC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.26
Rot. Bonds2

About 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine (PubChem CID 151067036) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
PubChem CID151067036
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
SMILESc1ccc2c(Oc3cc4c(o3)CCCNC4)cccc2c1
InChIInChI=1S/C18H17NO2/c1-2-7-15-13(5-1)6-3-8-17(15)21-18-11-14-12-19-10-4-9-16(14)20-18/h1-3,5-8,11,19H,4,9-10,12H2
InChIKeyMHIMZWGKYZNKFC-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-naphthalen-1-yloxyfuran-2-yl)methanamine;hydrochloride
CID 82021899
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815394
3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
CID 15507128
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
1-methoxynaphthalene;oxetane
CID 90030663
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
2-bromo-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 82397209
2-tert-butyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 82600240
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The IUPAC name of 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine (CID 151067036) is 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine.
What is the SMILES notation for 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The canonical SMILES for 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine is c1ccc2c(Oc3cc4c(o3)CCCNC4)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The InChIKey is MHIMZWGKYZNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-7-15-13(5-1)6-3-8-17(15)21-18-11-14-12-19-10-4-9-16(14)20-18/h1-3,5-8,11,19H,4,9-10,12H2.
What are the key properties of 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine has a molecular weight of 279.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine is sourced from PubChem (CID 151067036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).