5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C26H29NO3 — CID 10341137

IUPAC5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESNCC1(O)CCCCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C26H29NO3/c27-19-26(28)14-8-7-13-22-15-24(29-17-20-9-3-1-4-10-20)25(16-23(22)26)30-18-21-11-5-2-6-12-21/h1-6,9-12,15-16,28H,7-8,13-14,17-19,27H2
InChIKeyOYKORBPQPVAPEV-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.72
Rot. Bonds7

About 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 10341137) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID10341137
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESNCC1(O)CCCCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C26H29NO3/c27-19-26(28)14-8-7-13-22-15-24(29-17-20-9-3-1-4-10-20)25(16-23(22)26)30-18-21-11-5-2-6-12-21/h1-6,9-12,15-16,28H,7-8,13-14,17-19,27H2
InChIKeyOYKORBPQPVAPEV-UHFFFAOYSA-N
XLogP4.72
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol with MolForge

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Related Compounds

6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
CID 117496323
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
CID 82388999
1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol
CID 143036793
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 10341137) is 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is NCC1(O)CCCCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc21.
What is the InChIKey of 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is OYKORBPQPVAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c27-19-26(28)14-8-7-13-22-15-24(29-17-20-9-3-1-4-10-20)25(16-23(22)26)30-18-21-11-5-2-6-12-21/h1-6,9-12,15-16,28H,7-8,13-14,17-19,27H2.
What are the key properties of 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 403.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 10341137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).