(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine

C17H19NO — CID 82245192

IUPAC(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
SMILESNCC1CCCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H19NO/c18-12-15-7-4-10-19-17-9-8-14(11-16(15)17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12,18H2
InChIKeyZFRFNGCOWYMUIB-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.57
Rot. Bonds2

About (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine

(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine (PubChem CID 82245192) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine.

Molecular Properties

Compound Name(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
PubChem CID82245192
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
SMILESNCC1CCCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H19NO/c18-12-15-7-4-10-19-17-9-8-14(11-16(15)17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12,18H2
InChIKeyZFRFNGCOWYMUIB-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
The IUPAC name of (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine (CID 82245192) is (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine.
What is the SMILES notation for (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
The canonical SMILES for (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine is NCC1CCCOc2ccc(-c3ccccc3)cc21.
What is the InChIKey of (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
The InChIKey is ZFRFNGCOWYMUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-12-15-7-4-10-19-17-9-8-14(11-16(15)17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12,18H2.
What are the key properties of (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine has a molecular weight of 253.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine is sourced from PubChem (CID 82245192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).