3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine

C20H25NO2 — CID 163306536

IUPAC3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc2c(c1)CCN(Cc1ccc(C3CCCCO3)o1)CC2
InChIInChI=1S/C20H25NO2/c1-2-6-17-11-13-21(12-10-16(17)5-1)15-18-8-9-20(23-18)19-7-3-4-14-22-19/h1-2,5-6,8-9,19H,3-4,7,10-15H2
InChIKeyPHNPLPZNFOJPTH-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.12
Rot. Bonds3

About 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine

3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 163306536) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID163306536
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc2c(c1)CCN(Cc1ccc(C3CCCCO3)o1)CC2
InChIInChI=1S/C20H25NO2/c1-2-6-17-11-13-21(12-10-16(17)5-1)15-18-8-9-20(23-18)19-7-3-4-14-22-19/h1-2,5-6,8-9,19H,3-4,7,10-15H2
InChIKeyPHNPLPZNFOJPTH-UHFFFAOYSA-N
XLogP4.12
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine with MolForge

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Related Compounds

4-(hydroxymethyl)-1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-ol
CID 95203862
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
CID 56900525
1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131951371
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 56887626
[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 77094411
1-(4-fluorophenyl)-4-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,4-diazepane
CID 74247790
3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 77095496
1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56709388
5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45219508
4-ethyl-3-[[1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 95134772
1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 95871623
1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 42514151

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine (CID 163306536) is 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine is c1ccc2c(c1)CCN(Cc1ccc(C3CCCCO3)o1)CC2.
What is the InChIKey of 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is PHNPLPZNFOJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-6-17-11-13-21(12-10-16(17)5-1)15-18-8-9-20(23-18)19-7-3-4-14-22-19/h1-2,5-6,8-9,19H,3-4,7,10-15H2.
What are the key properties of 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 311.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 163306536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).