4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine

C15H22N2O2 — CID 66263787

IUPAC4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine
SMILESCC1(CN2CCOc3ccccc3C2)COCC1N
InChIInChI=1S/C15H22N2O2/c1-15(11-18-9-14(15)16)10-17-6-7-19-13-5-3-2-4-12(13)8-17/h2-5,14H,6-11,16H2,1H3
InChIKeySURYQKQTAUIEQI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.24
Rot. Bonds2

About 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine

4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine (PubChem CID 66263787) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine
PubChem CID66263787
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine
SMILESCC1(CN2CCOc3ccccc3C2)COCC1N
InChIInChI=1S/C15H22N2O2/c1-15(11-18-9-14(15)16)10-17-6-7-19-13-5-3-2-4-12(13)8-17/h2-5,14H,6-11,16H2,1H3
InChIKeySURYQKQTAUIEQI-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine (CID 66263787) is 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine is CC1(CN2CCOc3ccccc3C2)COCC1N.
What is the InChIKey of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine?
The InChIKey is SURYQKQTAUIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(11-18-9-14(15)16)10-17-6-7-19-13-5-3-2-4-12(13)8-17/h2-5,14H,6-11,16H2,1H3.
What are the key properties of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine?
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine has a molecular weight of 262.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66263787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).