8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol

C21H25NO — CID 11220535

IUPAC8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1
InChIInChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+
InChIKeyNZABAQRVWLTDQC-RMKNXTFCSA-N
MW307.44 g/mol
LogP4.29
Rot. Bonds4

About 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol

8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 11220535) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID11220535
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1
InChIInChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+
InChIKeyNZABAQRVWLTDQC-RMKNXTFCSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol (CID 11220535) is 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol is CC1(C)c2cc(O)ccc2CCC1NC/C=C/c1ccccc1.
What is the InChIKey of 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is NZABAQRVWLTDQC-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+.
What are the key properties of 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 307.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 11220535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).