N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C21H31NO2 — CID 155515524

IUPACN-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCOC1OC2(CCC(NCC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C21H31NO2/c1-23-20-18-9-5-6-10-19(18)21(24-20)13-11-17(12-14-21)22-15-16-7-3-2-4-8-16/h5-6,9-10,16-17,20,22H,2-4,7-8,11-15H2,1H3
InChIKeyXDSZKZOLLACLGI-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.67
Rot. Bonds4

About N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 155515524) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID155515524
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCOC1OC2(CCC(NCC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C21H31NO2/c1-23-20-18-9-5-6-10-19(18)21(24-20)13-11-17(12-14-21)22-15-16-7-3-2-4-8-16/h5-6,9-10,16-17,20,22H,2-4,7-8,11-15H2,1H3
InChIKeyXDSZKZOLLACLGI-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 155515524) is N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is COC1OC2(CCC(NCC3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is XDSZKZOLLACLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-23-20-18-9-5-6-10-19(18)21(24-20)13-11-17(12-14-21)22-15-16-7-3-2-4-8-16/h5-6,9-10,16-17,20,22H,2-4,7-8,11-15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 329.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 155515524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).