6-butyl-4-phenyl-1-benzofuran-7-amine

C18H19NO — CID 102590624

IUPAC6-butyl-4-phenyl-1-benzofuran-7-amine
SMILESCCCCc1cc(-c2ccccc2)c2ccoc2c1N
InChIInChI=1S/C18H19NO/c1-2-3-7-14-12-16(13-8-5-4-6-9-13)15-10-11-20-18(15)17(14)19/h4-6,8-12H,2-3,7,19H2,1H3
InChIKeyBMBFDWLNPLRNNN-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.02
Rot. Bonds4

About 6-butyl-4-phenyl-1-benzofuran-7-amine

6-butyl-4-phenyl-1-benzofuran-7-amine (PubChem CID 102590624) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-butyl-4-phenyl-1-benzofuran-7-amine.

Molecular Properties

Compound Name6-butyl-4-phenyl-1-benzofuran-7-amine
PubChem CID102590624
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6-butyl-4-phenyl-1-benzofuran-7-amine
SMILESCCCCc1cc(-c2ccccc2)c2ccoc2c1N
InChIInChI=1S/C18H19NO/c1-2-3-7-14-12-16(13-8-5-4-6-9-13)15-10-11-20-18(15)17(14)19/h4-6,8-12H,2-3,7,19H2,1H3
InChIKeyBMBFDWLNPLRNNN-UHFFFAOYSA-N
XLogP5.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-diethyl-1-benzofuran-7-amine
CID 118074596
3,6-dibutyl-1-phenylpyrene
CID 175309411
7-butyl-1-benzofuran
CID 68789907
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
2-butyl-4-phenylaniline
CID 24835781
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
4,7-dibutyl-5-phenyl-1,3-dihydro-2-benzofuran
CID 70876576
6-butylcyclopenta[c]pyran-5-amine;hydrochloride
CID 69426672
5-phenylbenzo[g][1]benzofuran
CID 12588747
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-phenyl-1-benzofuran-7-amine?
The IUPAC name of 6-butyl-4-phenyl-1-benzofuran-7-amine (CID 102590624) is 6-butyl-4-phenyl-1-benzofuran-7-amine.
What is the SMILES notation for 6-butyl-4-phenyl-1-benzofuran-7-amine?
The canonical SMILES for 6-butyl-4-phenyl-1-benzofuran-7-amine is CCCCc1cc(-c2ccccc2)c2ccoc2c1N.
What is the InChIKey of 6-butyl-4-phenyl-1-benzofuran-7-amine?
The InChIKey is BMBFDWLNPLRNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-3-7-14-12-16(13-8-5-4-6-9-13)15-10-11-20-18(15)17(14)19/h4-6,8-12H,2-3,7,19H2,1H3.
What are the key properties of 6-butyl-4-phenyl-1-benzofuran-7-amine?
6-butyl-4-phenyl-1-benzofuran-7-amine has a molecular weight of 265.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-phenyl-1-benzofuran-7-amine is sourced from PubChem (CID 102590624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).