3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine

C23H29NO — CID 10088337

IUPAC3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc(COc2ccc3c(c2)CCN(C2CCCCC2)CC3)cc1
InChIInChI=1S/C23H29NO/c1-3-7-19(8-4-1)18-25-23-12-11-20-13-15-24(16-14-21(20)17-23)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,22H,2,5-6,9-10,13-16,18H2
InChIKeyKWXWOWYXTUGOEM-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.00
Rot. Bonds4

About 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine

3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 10088337) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID10088337
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc(COc2ccc3c(c2)CCN(C2CCCCC2)CC3)cc1
InChIInChI=1S/C23H29NO/c1-3-7-19(8-4-1)18-25-23-12-11-20-13-15-24(16-14-21(20)17-23)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,22H,2,5-6,9-10,13-16,18H2
InChIKeyKWXWOWYXTUGOEM-UHFFFAOYSA-N
XLogP5.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
CID 9841596
Sch-12679
CID 5024
3-(Cyclopropylmethyl)-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 9798145
3-Ethyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9973087
2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 9973932
3-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10000114
3-(Cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10065106
7-(benzyloxy)-3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10244716
2-Benzyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[c] azepine
CID 10339638
2-Ethyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10381075
3-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10382001
7-Benzyloxy-3-cyclopentyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10426237

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine (CID 10088337) is 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine is c1ccc(COc2ccc3c(c2)CCN(C2CCCCC2)CC3)cc1.
What is the InChIKey of 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is KWXWOWYXTUGOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-7-19(8-4-1)18-25-23-12-11-20-13-15-24(16-14-21(20)17-23)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,22H,2,5-6,9-10,13-16,18H2.
What are the key properties of 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine?
3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 335.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 10088337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).