2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C17H26N2O2 — CID 63192699

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCOc2ccccc2C1
InChIInChI=1S/C17H26N2O2/c1-14(11-18-12-16-6-4-9-20-16)19-8-10-21-17-7-3-2-5-15(17)13-19/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3
InChIKeyLTDJWIUXCIYTSY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.04
Rot. Bonds5

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 63192699) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID63192699
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCOc2ccccc2C1
InChIInChI=1S/C17H26N2O2/c1-14(11-18-12-16-6-4-9-20-16)19-8-10-21-17-7-3-2-5-15(17)13-19/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3
InChIKeyLTDJWIUXCIYTSY-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine with MolForge

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Related Compounds

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine
CID 63192957
2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55088990
2-(4-cyclopropylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55087769
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62557461
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
N-tert-butyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
CID 63193087
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
2-(3-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62569537
4-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 164635188

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 63192699) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)N1CCOc2ccccc2C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is LTDJWIUXCIYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(11-18-12-16-6-4-9-20-16)19-8-10-21-17-7-3-2-5-15(17)13-19/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63192699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).