(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

C17H26N2O2 — CID 82250689

IUPAC(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESCc1ccc2c(c1C)OCCCC2(CN)N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-4-5-15-16(14(13)2)21-9-3-6-17(15,12-18)19-7-10-20-11-8-19/h4-5H,3,6-12,18H2,1-2H3
InChIKeyOIVLGDFRBXYNRM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.96
Rot. Bonds2

About (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (PubChem CID 82250689) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.

Molecular Properties

Compound Name(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
PubChem CID82250689
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESCc1ccc2c(c1C)OCCCC2(CN)N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-4-5-15-16(14(13)2)21-9-3-6-17(15,12-18)19-7-10-20-11-8-19/h4-5H,3,6-12,18H2,1-2H3
InChIKeyOIVLGDFRBXYNRM-UHFFFAOYSA-N
XLogP1.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The IUPAC name of (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (CID 82250689) is (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.
What is the SMILES notation for (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The canonical SMILES for (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is Cc1ccc2c(c1C)OCCCC2(CN)N1CCOCC1.
What is the InChIKey of (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The InChIKey is OIVLGDFRBXYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-4-5-15-16(14(13)2)21-9-3-6-17(15,12-18)19-7-10-20-11-8-19/h4-5H,3,6-12,18H2,1-2H3.
What are the key properties of (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine has a molecular weight of 290.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is sourced from PubChem (CID 82250689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).