1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine

C16H20N2O2 — CID 63193354

IUPAC1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CCOc2ccccc2C1
InChIInChI=1S/C16H20N2O2/c1-17-10-16-14(6-8-19-16)12-18-7-9-20-15-5-3-2-4-13(15)11-18/h2-6,8,17H,7,9-12H2,1H3
InChIKeyMWEAFOSMQBBQPB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds4

About 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine

1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 63193354) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
PubChem CID63193354
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CCOc2ccccc2C1
InChIInChI=1S/C16H20N2O2/c1-17-10-16-14(6-8-19-16)12-18-7-9-20-15-5-3-2-4-13(15)11-18/h2-6,8,17H,7,9-12H2,1H3
InChIKeyMWEAFOSMQBBQPB-UHFFFAOYSA-N
XLogP2.39
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 63193091
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
CID 63192911
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpropan-2-amine
CID 63189675
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62420012
1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 103540001
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine
CID 63193252
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 62424247

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine (CID 63193354) is 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1CN1CCOc2ccccc2C1.
What is the InChIKey of 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is MWEAFOSMQBBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-10-16-14(6-8-19-16)12-18-7-9-20-15-5-3-2-4-13(15)11-18/h2-6,8,17H,7,9-12H2,1H3.
What are the key properties of 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63193354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).