7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C17H19NO — CID 62273161

IUPAC7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESNC1CCCOc2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C17H19NO/c18-16-7-4-10-19-17-9-8-14(12-15(16)17)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,16H,4,7,10-11,18H2
InChIKeyLXIMOHSPTBSVKZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.45
Rot. Bonds2

About 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 62273161) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound Name7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID62273161
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESNC1CCCOc2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C17H19NO/c18-16-7-4-10-19-17-9-8-14(12-15(16)17)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,16H,4,7,10-11,18H2
InChIKeyLXIMOHSPTBSVKZ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 62273161) is 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is NC1CCCOc2ccc(Cc3ccccc3)cc21.
What is the InChIKey of 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is LXIMOHSPTBSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-16-7-4-10-19-17-9-8-14(12-15(16)17)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,16H,4,7,10-11,18H2.
What are the key properties of 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 253.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 62273161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).