1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C19H21NO — CID 13017861

IUPAC1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESNC1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO/c20-15-10-12-19(13-11-15)17-9-5-4-8-16(17)18(21-19)14-6-2-1-3-7-14/h1-9,15,18H,10-13,20H2
InChIKeyOTBBNNNDUNLQIC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.90
Rot. Bonds1

About 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 13017861) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID13017861
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESNC1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO/c20-15-10-12-19(13-11-15)17-9-5-4-8-16(17)18(21-19)14-6-2-1-3-7-14/h1-9,15,18H,10-13,20H2
InChIKeyOTBBNNNDUNLQIC-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 13017861) is 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is NC1CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is OTBBNNNDUNLQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c20-15-10-12-19(13-11-15)17-9-5-4-8-16(17)18(21-19)14-6-2-1-3-7-14/h1-9,15,18H,10-13,20H2.
What are the key properties of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 279.38 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 13017861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).