4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol

C25H24N2O — CID 174399900

IUPAC4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol
SMILESCN(C)C(c1ccccc1)c1cc(N)c2ccccc2c1-c1ccc(O)cc1
InChIInChI=1S/C25H24N2O/c1-27(2)25(18-8-4-3-5-9-18)22-16-23(26)20-10-6-7-11-21(20)24(22)17-12-14-19(28)15-13-17/h3-16,25,28H,26H2,1-2H3
InChIKeyMSCSXGLSFZUSHW-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.45
Rot. Bonds4

About 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol

4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol (PubChem CID 174399900) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol.

Molecular Properties

Compound Name4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol
PubChem CID174399900
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol
SMILESCN(C)C(c1ccccc1)c1cc(N)c2ccccc2c1-c1ccc(O)cc1
InChIInChI=1S/C25H24N2O/c1-27(2)25(18-8-4-3-5-9-18)22-16-23(26)20-10-6-7-11-21(20)24(22)17-12-14-19(28)15-13-17/h3-16,25,28H,26H2,1-2H3
InChIKeyMSCSXGLSFZUSHW-UHFFFAOYSA-N
XLogP5.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol?
The IUPAC name of 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol (CID 174399900) is 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol.
What is the SMILES notation for 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol?
The canonical SMILES for 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol is CN(C)C(c1ccccc1)c1cc(N)c2ccccc2c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol?
The InChIKey is MSCSXGLSFZUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-27(2)25(18-8-4-3-5-9-18)22-16-23(26)20-10-6-7-11-21(20)24(22)17-12-14-19(28)15-13-17/h3-16,25,28H,26H2,1-2H3.
What are the key properties of 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol?
4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol has a molecular weight of 368.48 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-[dimethylamino(phenyl)methyl]naphthalen-1-yl]phenol is sourced from PubChem (CID 174399900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).