N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine

C18H24N2O — CID 63153088

IUPACN-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN2CCCc3ccccc3C2)c1
InChIInChI=1S/C18H24N2O/c1-2-19-11-15-10-18(21-14-15)13-20-9-5-8-16-6-3-4-7-17(16)12-20/h3-4,6-7,10,14,19H,2,5,8-9,11-13H2,1H3
InChIKeyIQQGANYUNWQCSH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.34
Rot. Bonds5

About N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine

N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine (PubChem CID 63153088) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
PubChem CID63153088
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN2CCCc3ccccc3C2)c1
InChIInChI=1S/C18H24N2O/c1-2-19-11-15-10-18(21-14-15)13-20-9-5-8-16-6-3-4-7-17(16)12-20/h3-4,6-7,10,14,19H,2,5,8-9,11-13H2,1H3
InChIKeyIQQGANYUNWQCSH-UHFFFAOYSA-N
XLogP3.34
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62463352
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62411943
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 62424247
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62446784
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63457850
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine (CID 63153088) is N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine is CCNCc1coc(CN2CCCc3ccccc3C2)c1.
What is the InChIKey of N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is IQQGANYUNWQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-19-11-15-10-18(21-14-15)13-20-9-5-8-16-6-3-4-7-17(16)12-20/h3-4,6-7,10,14,19H,2,5,8-9,11-13H2,1H3.
What are the key properties of N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine?
N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63153088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).