9-(4-aminophenyl)-10-methylphenanthridin-3-amine

C20H17N3 — CID 159192154

IUPAC9-(4-aminophenyl)-10-methylphenanthridin-3-amine
SMILESCc1c(-c2ccc(N)cc2)ccc2cnc3cc(N)ccc3c12
InChIInChI=1S/C20H17N3/c1-12-17(13-2-5-15(21)6-3-13)8-4-14-11-23-19-10-16(22)7-9-18(19)20(12)14/h2-11H,21-22H2,1H3
InChIKeyTYMJCYIMRCKUAJ-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.53
Rot. Bonds1

About 9-(4-aminophenyl)-10-methylphenanthridin-3-amine

9-(4-aminophenyl)-10-methylphenanthridin-3-amine (PubChem CID 159192154) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 9-(4-aminophenyl)-10-methylphenanthridin-3-amine.

Molecular Properties

Compound Name9-(4-aminophenyl)-10-methylphenanthridin-3-amine
PubChem CID159192154
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name9-(4-aminophenyl)-10-methylphenanthridin-3-amine
SMILESCc1c(-c2ccc(N)cc2)ccc2cnc3cc(N)ccc3c12
InChIInChI=1S/C20H17N3/c1-12-17(13-2-5-15(21)6-3-13)8-4-14-11-23-19-10-16(22)7-9-18(19)20(12)14/h2-11H,21-22H2,1H3
InChIKeyTYMJCYIMRCKUAJ-UHFFFAOYSA-N
XLogP4.53
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(4-aminophenyl)-10-methylphenanthridin-3-amine?
The IUPAC name of 9-(4-aminophenyl)-10-methylphenanthridin-3-amine (CID 159192154) is 9-(4-aminophenyl)-10-methylphenanthridin-3-amine.
What is the SMILES notation for 9-(4-aminophenyl)-10-methylphenanthridin-3-amine?
The canonical SMILES for 9-(4-aminophenyl)-10-methylphenanthridin-3-amine is Cc1c(-c2ccc(N)cc2)ccc2cnc3cc(N)ccc3c12.
What is the InChIKey of 9-(4-aminophenyl)-10-methylphenanthridin-3-amine?
The InChIKey is TYMJCYIMRCKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-12-17(13-2-5-15(21)6-3-13)8-4-14-11-23-19-10-16(22)7-9-18(19)20(12)14/h2-11H,21-22H2,1H3.
What are the key properties of 9-(4-aminophenyl)-10-methylphenanthridin-3-amine?
9-(4-aminophenyl)-10-methylphenanthridin-3-amine has a molecular weight of 299.38 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminophenyl)-10-methylphenanthridin-3-amine is sourced from PubChem (CID 159192154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).