ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine

C18H25N3 — CID 143629077

IUPACethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine
SMILESCC.CN.NC(N)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C15H14N2.C2H6.CH5N/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;2*1-2/h1-9,15H,16-17H2;1-2H3;2H2,1H3
InChIKeyPOGQPRXUFLFOFE-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.60
Rot. Bonds1

About ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine

ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine (PubChem CID 143629077) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine.

Molecular Properties

Compound Nameethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine
PubChem CID143629077
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Nameethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine
SMILESCC.CN.NC(N)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C15H14N2.C2H6.CH5N/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;2*1-2/h1-9,15H,16-17H2;1-2H3;2H2,1H3
InChIKeyPOGQPRXUFLFOFE-UHFFFAOYSA-N
XLogP2.60
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[2-(2-propan-2-ylphenyl)ethynyl]benzene
CID 135021566
1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
CID 121358913
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
1-methoxy-4-[2-[2-(1-methoxy-3-phenylprop-2-ynyl)phenyl]ethynyl]benzene
CID 121348422
2-[2-(2-phenylethynyl)phenyl]propan-2-ol
CID 168864374
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine?
The IUPAC name of ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine (CID 143629077) is ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine.
What is the SMILES notation for ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine?
The canonical SMILES for ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine is CC.CN.NC(N)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine?
The InChIKey is POGQPRXUFLFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.C2H6.CH5N/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;2*1-2/h1-9,15H,16-17H2;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine?
ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine has a molecular weight of 283.42 g/mol, XLogP of 2.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine is sourced from PubChem (CID 143629077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).