9-butan-2-yl-2-methoxydibenzofuran-3-amine

C17H19NO2 — CID 91524246

IUPAC9-butan-2-yl-2-methoxydibenzofuran-3-amine
SMILESCCC(C)c1cccc2oc3cc(N)c(OC)cc3c12
InChIInChI=1S/C17H19NO2/c1-4-10(2)11-6-5-7-14-17(11)12-8-16(19-3)13(18)9-15(12)20-14/h5-10H,4,18H2,1-3H3
InChIKeyNDAOVDUDMDBNFZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.69
Rot. Bonds3

About 9-butan-2-yl-2-methoxydibenzofuran-3-amine

9-butan-2-yl-2-methoxydibenzofuran-3-amine (PubChem CID 91524246) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 9-butan-2-yl-2-methoxydibenzofuran-3-amine.

Molecular Properties

Compound Name9-butan-2-yl-2-methoxydibenzofuran-3-amine
PubChem CID91524246
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name9-butan-2-yl-2-methoxydibenzofuran-3-amine
SMILESCCC(C)c1cccc2oc3cc(N)c(OC)cc3c12
InChIInChI=1S/C17H19NO2/c1-4-10(2)11-6-5-7-14-17(11)12-8-16(19-3)13(18)9-15(12)20-14/h5-10H,4,18H2,1-3H3
InChIKeyNDAOVDUDMDBNFZ-UHFFFAOYSA-N
XLogP4.69
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9-butan-2-yl-2-methoxydibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-butan-2-yl-9-methyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,24-dodecaene
CID 166096131
5-[(2-butan-2-ylphenoxy)methyl]-2-methoxyaniline
CID 43111870
2-[(2-amino-6-butan-2-ylphenyl)methyl]-3-butan-2-ylaniline
CID 18175359
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
2-amino-6-butan-2-ylphenol
CID 14993637
1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
CID 4319802
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1-(4-methoxy-1-benzofuran-2-yl)-N-methylpropan-2-amine
CID 117194547
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
2-(4-methoxy-1-benzofuran-3-yl)propan-1-amine
CID 117119202
3-[(2R)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324038

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-2-methoxydibenzofuran-3-amine?
The IUPAC name of 9-butan-2-yl-2-methoxydibenzofuran-3-amine (CID 91524246) is 9-butan-2-yl-2-methoxydibenzofuran-3-amine.
What is the SMILES notation for 9-butan-2-yl-2-methoxydibenzofuran-3-amine?
The canonical SMILES for 9-butan-2-yl-2-methoxydibenzofuran-3-amine is CCC(C)c1cccc2oc3cc(N)c(OC)cc3c12.
What is the InChIKey of 9-butan-2-yl-2-methoxydibenzofuran-3-amine?
The InChIKey is NDAOVDUDMDBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-10(2)11-6-5-7-14-17(11)12-8-16(19-3)13(18)9-15(12)20-14/h5-10H,4,18H2,1-3H3.
What are the key properties of 9-butan-2-yl-2-methoxydibenzofuran-3-amine?
9-butan-2-yl-2-methoxydibenzofuran-3-amine has a molecular weight of 269.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-2-methoxydibenzofuran-3-amine is sourced from PubChem (CID 91524246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).