6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide

Name: 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₈BrN₃ — CID 138399966

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide

SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(C)c-2c1

InChIInChI=1S/C16H17N3.BrH/c1-3-15-14-8-10(17)4-6-12(14)13-7-5-11(18)9-16(13)19(15)2;/h4-9,18H,3,17H2,1-2H3;1H/b18-11+;

InChIKeyYVNRSOMGUGTRMU-NWBUNABESA-N

MW332.25 g/mol

LogP3.49

Rot. Bonds1

About 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide

6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide (PubChem CID 138399966) has the molecular formula C₁₆H₁₈BrN₃ and a molecular weight of 332.25 g/mol. Its IUPAC name is 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide.

Molecular Properties

Compound Name	6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide
PubChem CID	138399966
Molecular Formula	C₁₆H₁₈BrN₃
Molecular Weight	332.25 g/mol
Exact Mass	331.07
IUPAC Name	6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide
SMILES	Br.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(C)c-2c1
InChI	InChI=1S/C16H17N3.BrH/c1-3-15-14-8-10(17)4-6-12(14)13-7-5-11(18)9-16(13)19(15)2;/h4-9,18H,3,17H2,1-2H3;1H/b18-11+;
InChIKey	YVNRSOMGUGTRMU-NWBUNABESA-N
XLogP	3.49
TPSA	54.80 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.25
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?

The IUPAC name of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide (CID 138399966) is 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide.

What is the SMILES notation for 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?

The canonical SMILES for 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide is Br.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(C)c-2c1.

What is the InChIKey of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?

The InChIKey is YVNRSOMGUGTRMU-NWBUNABESA-N. The full InChI is InChI=1S/C16H17N3.BrH/c1-3-15-14-8-10(17)4-6-12(14)13-7-5-11(18)9-16(13)19(15)2;/h4-9,18H,3,17H2,1-2H3;1H/b18-11+;.

What are the key properties of 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide?

6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide has a molecular weight of 332.25 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-imino-5-methylphenanthridin-8-amine;hydrobromide is sourced from PubChem (CID 138399966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 138399966 — identifiers, structure, computed properties (public domain)

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