N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C18H24N2O — CID 103980736

IUPACN-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC(CCc1ccco1)NC1CCNCc2ccccc21
InChIInChI=1S/C18H24N2O/c1-14(8-9-16-6-4-12-21-16)20-18-10-11-19-13-15-5-2-3-7-17(15)18/h2-7,12,14,18-20H,8-11,13H2,1H3
InChIKeyHLFTZFRAGKBKBF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980736) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980736
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCC(CCc1ccco1)NC1CCNCc2ccccc21
InChIInChI=1S/C18H24N2O/c1-14(8-9-16-6-4-12-21-16)20-18-10-11-19-13-15-5-2-3-7-17(15)18/h2-7,12,14,18-20H,8-11,13H2,1H3
InChIKeyHLFTZFRAGKBKBF-UHFFFAOYSA-N
XLogP3.42
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine with MolForge

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Related Compounds

1-N,1-N-dimethyl-3-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)butane-1,3-diamine
CID 103981868
8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43769833
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188
N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 43783217
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
CID 103981826
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982717
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980736) is N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CC(CCc1ccco1)NC1CCNCc2ccccc21.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is HLFTZFRAGKBKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(8-9-16-6-4-12-21-16)20-18-10-11-19-13-15-5-2-3-7-17(15)18/h2-7,12,14,18-20H,8-11,13H2,1H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 284.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).