[3-(dimethylamino)acridin-4-yl]methanol

C16H16N2O — CID 10399970

IUPAC[3-(dimethylamino)acridin-4-yl]methanol
SMILESCN(C)c1ccc2cc3ccccc3nc2c1CO
InChIInChI=1S/C16H16N2O/c1-18(2)15-8-7-12-9-11-5-3-4-6-14(11)17-16(12)13(15)10-19/h3-9,19H,10H2,1-2H3
InChIKeyRWWYHESKBBWTEB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.95
Rot. Bonds2

About [3-(dimethylamino)acridin-4-yl]methanol

[3-(dimethylamino)acridin-4-yl]methanol (PubChem CID 10399970) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is [3-(dimethylamino)acridin-4-yl]methanol.

Molecular Properties

Compound Name[3-(dimethylamino)acridin-4-yl]methanol
PubChem CID10399970
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name[3-(dimethylamino)acridin-4-yl]methanol
SMILESCN(C)c1ccc2cc3ccccc3nc2c1CO
InChIInChI=1S/C16H16N2O/c1-18(2)15-8-7-12-9-11-5-3-4-6-14(11)17-16(12)13(15)10-19/h3-9,19H,10H2,1-2H3
InChIKeyRWWYHESKBBWTEB-UHFFFAOYSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)acridin-4-yl]methanol?
The IUPAC name of [3-(dimethylamino)acridin-4-yl]methanol (CID 10399970) is [3-(dimethylamino)acridin-4-yl]methanol.
What is the SMILES notation for [3-(dimethylamino)acridin-4-yl]methanol?
The canonical SMILES for [3-(dimethylamino)acridin-4-yl]methanol is CN(C)c1ccc2cc3ccccc3nc2c1CO.
What is the InChIKey of [3-(dimethylamino)acridin-4-yl]methanol?
The InChIKey is RWWYHESKBBWTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(2)15-8-7-12-9-11-5-3-4-6-14(11)17-16(12)13(15)10-19/h3-9,19H,10H2,1-2H3.
What are the key properties of [3-(dimethylamino)acridin-4-yl]methanol?
[3-(dimethylamino)acridin-4-yl]methanol has a molecular weight of 252.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)acridin-4-yl]methanol is sourced from PubChem (CID 10399970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).