N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine

C18H24N2O — CID 62002247

IUPACN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1N(C)C(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C18H24N2O/c1-12-6-4-5-7-15(12)20(3)16(11-19)18-9-8-17(21-18)14-10-13(14)2/h4-9,13-14,16H,10-11,19H2,1-3H3
InChIKeyALMOPQFRUQENBX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine

N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 62002247) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID62002247
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1N(C)C(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C18H24N2O/c1-12-6-4-5-7-15(12)20(3)16(11-19)18-9-8-17(21-18)14-10-13(14)2/h4-9,13-14,16H,10-11,19H2,1-3H3
InChIKeyALMOPQFRUQENBX-UHFFFAOYSA-N
XLogP3.85
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine (CID 62002247) is N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1N(C)C(CN)c1ccc(C2CC2C)o1.
What is the InChIKey of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is ALMOPQFRUQENBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-6-4-5-7-15(12)20(3)16(11-19)18-9-8-17(21-18)14-10-13(14)2/h4-9,13-14,16H,10-11,19H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine?
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62002247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).