N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine

C15H24N2O2 — CID 126780788

IUPACN-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(c1)C(NCCN(C)C)CCCO2
InChIInChI=1S/C15H24N2O2/c1-17(2)9-8-16-14-5-4-10-19-15-7-6-12(18-3)11-13(14)15/h6-7,11,14,16H,4-5,8-10H2,1-3H3
InChIKeyKIYYDHFBALDYMQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds5

About N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine

N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 126780788) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID126780788
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(c1)C(NCCN(C)C)CCCO2
InChIInChI=1S/C15H24N2O2/c1-17(2)9-8-16-14-5-4-10-19-15-7-6-12(18-3)11-13(14)15/h6-7,11,14,16H,4-5,8-10H2,1-3H3
InChIKeyKIYYDHFBALDYMQ-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479797
7-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 84588988
7-methoxy-N-(3-pyrazol-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 75382563
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine (CID 126780788) is N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine is COc1ccc2c(c1)C(NCCN(C)C)CCCO2.
What is the InChIKey of N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KIYYDHFBALDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)9-8-16-14-5-4-10-19-15-7-6-12(18-3)11-13(14)15/h6-7,11,14,16H,4-5,8-10H2,1-3H3.
What are the key properties of N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine?
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 126780788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).