N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine

C22H19N — CID 144803307

IUPACN-methyl-1-(6-methyltriphenylen-2-yl)ethenamine
SMILESC=C(NC)c1ccc2c3cc(C)ccc3c3ccccc3c2c1
InChIInChI=1S/C22H19N/c1-14-8-10-19-17-6-4-5-7-18(17)22-13-16(15(2)23-3)9-11-20(22)21(19)12-14/h4-13,23H,2H2,1,3H3
InChIKeyLJXCIBDQBJDGCW-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.64
Rot. Bonds2

About N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine

N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine (PubChem CID 144803307) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyltriphenylen-2-yl)ethenamine
PubChem CID144803307
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-methyl-1-(6-methyltriphenylen-2-yl)ethenamine
SMILESC=C(NC)c1ccc2c3cc(C)ccc3c3ccccc3c2c1
InChIInChI=1S/C22H19N/c1-14-8-10-19-17-6-4-5-7-18(17)22-13-16(15(2)23-3)9-11-20(22)21(19)12-14/h4-13,23H,2H2,1,3H3
InChIKeyLJXCIBDQBJDGCW-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyltriphenylene
CID 23261750
ethane;2-methyltriphenylene
CID 91569125
2-prop-1-en-2-yltriphenylene
CID 142551751
7-methyltriphenylen-2-ol
CID 88884826
2,9,10-trimethylphenanthrene
CID 11345039
2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
CID 89262869
2-methylphenanthrene-9,10-dithiol
CID 171785822
7-methylheptacyclo[12.6.6.64,11.05,10.015,20.021,26.027,32]dotriaconta-1(20),4,6,8,10,14,16,18,21,23,25,27,29,31-tetradecaene
CID 20825162
8-methyl-5H-phenanthridin-6-one
CID 102200304
2-(3,5-dimethylphenyl)-7-methyltriphenylene
CID 158973424
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine?
The IUPAC name of N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine (CID 144803307) is N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine?
The canonical SMILES for N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine is C=C(NC)c1ccc2c3cc(C)ccc3c3ccccc3c2c1.
What is the InChIKey of N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine?
The InChIKey is LJXCIBDQBJDGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-14-8-10-19-17-6-4-5-7-18(17)22-13-16(15(2)23-3)9-11-20(22)21(19)12-14/h4-13,23H,2H2,1,3H3.
What are the key properties of N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine?
N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine has a molecular weight of 297.40 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyltriphenylen-2-yl)ethenamine is sourced from PubChem (CID 144803307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).