1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol

C19H27NO — CID 154089442

IUPAC1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol
SMILESCCN(CC)CCCC1(O)C=CC=C2C(C)=CC=CC=C21
InChIInChI=1S/C19H27NO/c1-4-20(5-2)15-9-14-19(21)13-8-11-17-16(3)10-6-7-12-18(17)19/h6-8,10-13,21H,4-5,9,14-15H2,1-3H3
InChIKeyXJOKIAYDMRHXMD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.78
Rot. Bonds6

About 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol

1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol (PubChem CID 154089442) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol
PubChem CID154089442
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol
SMILESCCN(CC)CCCC1(O)C=CC=C2C(C)=CC=CC=C21
InChIInChI=1S/C19H27NO/c1-4-20(5-2)15-9-14-19(21)13-8-11-17-16(3)10-6-7-12-18(17)19/h6-8,10-13,21H,4-5,9,14-15H2,1-3H3
InChIKeyXJOKIAYDMRHXMD-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol?
The IUPAC name of 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol (CID 154089442) is 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol?
The canonical SMILES for 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol is CCN(CC)CCCC1(O)C=CC=C2C(C)=CC=CC=C21.
What is the InChIKey of 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol?
The InChIKey is XJOKIAYDMRHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-20(5-2)15-9-14-19(21)13-8-11-17-16(3)10-6-7-12-18(17)19/h6-8,10-13,21H,4-5,9,14-15H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol?
1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-5-methylbenzo[7]annulen-1-ol is sourced from PubChem (CID 154089442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).