7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C26H29NO2 — CID 54401835

IUPAC7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)OC1(CCCCC1)CC2NCc1ccc2ccccc2c1
InChIInChI=1S/C26H29NO2/c1-28-22-11-12-23-24(17-26(29-25(23)16-22)13-5-2-6-14-26)27-18-19-9-10-20-7-3-4-8-21(20)15-19/h3-4,7-12,15-16,24,27H,2,5-6,13-14,17-18H2,1H3
InChIKeyVNYMVXQLQIHFRP-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.16
Rot. Bonds4

About 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 54401835) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID54401835
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOc1ccc2c(c1)OC1(CCCCC1)CC2NCc1ccc2ccccc2c1
InChIInChI=1S/C26H29NO2/c1-28-22-11-12-23-24(17-26(29-25(23)16-22)13-5-2-6-14-26)27-18-19-9-10-20-7-3-4-8-21(20)15-19/h3-4,7-12,15-16,24,27H,2,5-6,13-14,17-18H2,1H3
InChIKeyVNYMVXQLQIHFRP-UHFFFAOYSA-N
XLogP6.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 54401835) is 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is COc1ccc2c(c1)OC1(CCCCC1)CC2NCc1ccc2ccccc2c1.
What is the InChIKey of 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is VNYMVXQLQIHFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-28-22-11-12-23-24(17-26(29-25(23)16-22)13-5-2-6-14-26)27-18-19-9-10-20-7-3-4-8-21(20)15-19/h3-4,7-12,15-16,24,27H,2,5-6,13-14,17-18H2,1H3.
What are the key properties of 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 387.52 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 54401835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).