N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine

C21H17BrN2 — CID 58944064

IUPACN-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine
SMILESCc1ccc(Nc2nc3ccccc3c3c(C)cccc23)c(Br)c1
InChIInChI=1S/C21H17BrN2/c1-13-10-11-19(17(22)12-13)24-21-16-8-5-6-14(2)20(16)15-7-3-4-9-18(15)23-21/h3-12H,1-2H3,(H,23,24)
InChIKeyIZAYYAVVDVHECY-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.51
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine

N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine (PubChem CID 58944064) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine
PubChem CID58944064
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC NameN-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine
SMILESCc1ccc(Nc2nc3ccccc3c3c(C)cccc23)c(Br)c1
InChIInChI=1S/C21H17BrN2/c1-13-10-11-19(17(22)12-13)24-21-16-8-5-6-14(2)20(16)15-7-3-4-9-18(15)23-21/h3-12H,1-2H3,(H,23,24)
InChIKeyIZAYYAVVDVHECY-UHFFFAOYSA-N
XLogP6.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
8-Bromobenzo[f]quinazoline-1,3-diamine
CID 456185
4,6-dimethyl-N-phenylquinolin-2-amine
CID 687170
N-(4-bromophenyl)-6-methyl-4-phenylquinazolin-2-amine
CID 1961542
N-(3-bromophenyl)-2-phenylquinazolin-4-amine
CID 2562583
4-(4-Methyl-7-o-tolyl-quinolin-2-ylamino)-benzamidine
CID 21250249
N-(4-bromophenyl)-4-methylquinolin-2-amine
CID 768745
8-Bromoquinolin-2-amine
CID 33746207
6-[2-(3,3-Dimethylbut-1-Yn-1-Yl)phenyl]quinolin-2-Amine
CID 53346493
4-(7-Bromo-4-methyl-quinolin-2-ylamino)-benzamidine
CID 21250257
6-[[2-(2-Bromophenyl)ethylamino]methyl]-4-methylquinolin-2-amine;hydrochloride
CID 44532068
6-[[2-(2-Bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine;hydrochloride
CID 44532076

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine (CID 58944064) is N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine is Cc1ccc(Nc2nc3ccccc3c3c(C)cccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine?
The InChIKey is IZAYYAVVDVHECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c1-13-10-11-19(17(22)12-13)24-21-16-8-5-6-14(2)20(16)15-7-3-4-9-18(15)23-21/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine?
N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine has a molecular weight of 377.29 g/mol, XLogP of 6.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-10-methylphenanthridin-6-amine is sourced from PubChem (CID 58944064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).