methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane

C34H37N — CID 143743290

IUPACmethanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane
SMILESCCC.CN.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H12.C13H12.C3H8.CH5N/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2;1-2/h2-10H,1H3;2-10H,1H3;3H2,1-2H3;2H2,1H3
InChIKeyNWPNVGWXTZMRDF-UHFFFAOYSA-N
MW459.68 g/mol
LogP9.55
Rot. Bonds1

About methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane

methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane (PubChem CID 143743290) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane.

Molecular Properties

Compound Namemethanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane
PubChem CID143743290
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC Namemethanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane
SMILESCCC.CN.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H12.C13H12.C3H8.CH5N/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2;1-2/h2-10H,1H3;2-10H,1H3;3H2,1-2H3;2H2,1H3
InChIKeyNWPNVGWXTZMRDF-UHFFFAOYSA-N
XLogP9.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 59.55
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

methanamine;3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;toluene
CID 143980770
ethane;3-methylperylene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 143269201
N,3-dimethyl-N-(3-methylphenyl)aniline;N-methyl-N,4-diphenylaniline;N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline;1-methylpyrene;2-methylpyrene
CID 158173263
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
CID 161034460
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932
2,8-dimethyl-1-phenylpyrene
CID 175605682
2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane?
The IUPAC name of methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane (CID 143743290) is methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane.
What is the SMILES notation for methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane?
The canonical SMILES for methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane is CCC.CN.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane?
The InChIKey is NWPNVGWXTZMRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.C13H12.C3H8.CH5N/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-2;1-2/h2-10H,1H3;2-10H,1H3;3H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane?
methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane has a molecular weight of 459.68 g/mol, XLogP of 9.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methyl-4-phenylbenzene;1-methylpyrene;propane is sourced from PubChem (CID 143743290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).