7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine

C20H25NO — CID 11572939

IUPAC7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC(C)N1CCc2ccc(OCc3ccccc3)cc2CC1
InChIInChI=1S/C20H25NO/c1-16(2)21-12-10-18-8-9-20(14-19(18)11-13-21)22-15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyIQMLRBCRTHOESS-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.07
Rot. Bonds4

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

7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 11572939) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID11572939
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC(C)N1CCc2ccc(OCc3ccccc3)cc2CC1
InChIInChI=1S/C20H25NO/c1-16(2)21-12-10-18-8-9-20(14-19(18)11-13-21)22-15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyIQMLRBCRTHOESS-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine (CID 11572939) is 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine is CC(C)N1CCc2ccc(OCc3ccccc3)cc2CC1.
What is the InChIKey of 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is IQMLRBCRTHOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16(2)21-12-10-18-8-9-20(14-19(18)11-13-21)22-15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine?
7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 295.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 11572939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).