[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine

C16H20N2O2 — CID 63193178

IUPAC[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine
SMILESCc1cc(CN2CCOc3ccccc3C2)oc1CN
InChIInChI=1S/C16H20N2O2/c1-12-8-14(20-16(12)9-17)11-18-6-7-19-15-5-3-2-4-13(15)10-18/h2-5,8H,6-7,9-11,17H2,1H3
InChIKeyHEUUATAIDBBRJW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds3

About [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine

[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine (PubChem CID 63193178) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine
PubChem CID63193178
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine
SMILESCc1cc(CN2CCOc3ccccc3C2)oc1CN
InChIInChI=1S/C16H20N2O2/c1-12-8-14(20-16(12)9-17)11-18-6-7-19-15-5-3-2-4-13(15)10-18/h2-5,8H,6-7,9-11,17H2,1H3
InChIKeyHEUUATAIDBBRJW-UHFFFAOYSA-N
XLogP2.44
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-fluoroaniline
CID 63330680
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
CID 65247542
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-methoxyaniline
CID 63189317
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-en-1-amine
CID 103070559
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine
CID 63189237
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 55847157
4-[(3-bromo-5-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79706573
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170378
(2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-amine
CID 112736679
(4-propyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methanamine
CID 121199772
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
CID 113313048

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine (CID 63193178) is [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine is Cc1cc(CN2CCOc3ccccc3C2)oc1CN.
What is the InChIKey of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine?
The InChIKey is HEUUATAIDBBRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-8-14(20-16(12)9-17)11-18-6-7-19-15-5-3-2-4-13(15)10-18/h2-5,8H,6-7,9-11,17H2,1H3.
What are the key properties of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine?
[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 63193178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).