N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine

C22H23N3O — CID 15658180

IUPACN-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2ccc3c4ccccc4c(NCCN(C)C)nc3c2c1
InChIInChI=1S/C22H23N3O/c1-25(2)13-12-23-22-19-7-5-4-6-17(19)18-11-9-15-8-10-16(26-3)14-20(15)21(18)24-22/h4-11,14H,12-13H2,1-3H3,(H,23,24)
InChIKeyRRBNIXPDSLXORD-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.52
Rot. Bonds5

About N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine

N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 15658180) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID15658180
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2ccc3c4ccccc4c(NCCN(C)C)nc3c2c1
InChIInChI=1S/C22H23N3O/c1-25(2)13-12-23-22-19-7-5-4-6-17(19)18-11-9-15-8-10-16(26-3)14-20(15)21(18)24-22/h4-11,14H,12-13H2,1-3H3,(H,23,24)
InChIKeyRRBNIXPDSLXORD-UHFFFAOYSA-N
XLogP4.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 15658180) is N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine is COc1ccc2ccc3c4ccccc4c(NCCN(C)C)nc3c2c1.
What is the InChIKey of N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RRBNIXPDSLXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25(2)13-12-23-22-19-7-5-4-6-17(19)18-11-9-15-8-10-16(26-3)14-20(15)21(18)24-22/h4-11,14H,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 345.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 15658180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).