1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol

C25H31NO2 — CID 54771551

IUPAC1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCC(C)N(CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1)C(C)C
InChIInChI=1S/C25H31NO2/c1-18(2)26(19(3)4)15-16-28-22-12-9-20(10-13-22)17-24-23-8-6-5-7-21(23)11-14-25(24)27/h5-14,18-19,27H,15-17H2,1-4H3
InChIKeyQIQQNKQJSYENOT-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.63
Rot. Bonds8

About 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol

1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 54771551) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID54771551
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCC(C)N(CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1)C(C)C
InChIInChI=1S/C25H31NO2/c1-18(2)26(19(3)4)15-16-28-22-12-9-20(10-13-22)17-24-23-8-6-5-7-21(23)11-14-25(24)27/h5-14,18-19,27H,15-17H2,1-4H3
InChIKeyQIQQNKQJSYENOT-UHFFFAOYSA-N
XLogP5.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol (CID 54771551) is 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol is CC(C)N(CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1)C(C)C.
What is the InChIKey of 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is QIQQNKQJSYENOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-18(2)26(19(3)4)15-16-28-22-12-9-20(10-13-22)17-24-23-8-6-5-7-21(23)11-14-25(24)27/h5-14,18-19,27H,15-17H2,1-4H3.
What are the key properties of 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol?
1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 377.53 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 54771551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).