3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol

C26H25NO — CID 138984203

IUPAC3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol
SMILESCc1cc(C)c(-c2c(CN(C)c3ccccc3)ccc3ccccc23)c(O)c1
InChIInChI=1S/C26H25NO/c1-18-15-19(2)25(24(28)16-18)26-21(14-13-20-9-7-8-12-23(20)26)17-27(3)22-10-5-4-6-11-22/h4-16,28H,17H2,1-3H3
InChIKeyGFHRHDWJRLXHJU-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.47
Rot. Bonds4

About 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol

3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol (PubChem CID 138984203) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol
PubChem CID138984203
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol
SMILESCc1cc(C)c(-c2c(CN(C)c3ccccc3)ccc3ccccc23)c(O)c1
InChIInChI=1S/C26H25NO/c1-18-15-19(2)25(24(28)16-18)26-21(14-13-20-9-7-8-12-23(20)26)17-27(3)22-10-5-4-6-11-22/h4-16,28H,17H2,1-3H3
InChIKeyGFHRHDWJRLXHJU-UHFFFAOYSA-N
XLogP6.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol?
The IUPAC name of 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol (CID 138984203) is 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol?
The canonical SMILES for 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol is Cc1cc(C)c(-c2c(CN(C)c3ccccc3)ccc3ccccc23)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol?
The InChIKey is GFHRHDWJRLXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-18-15-19(2)25(24(28)16-18)26-21(14-13-20-9-7-8-12-23(20)26)17-27(3)22-10-5-4-6-11-22/h4-16,28H,17H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol?
3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol has a molecular weight of 367.49 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol is sourced from PubChem (CID 138984203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).