N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine

C16H22N2O — CID 62558966

IUPACN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)Cc1ccoc1C
InChIInChI=1S/C16H22N2O/c1-13-6-4-5-7-16(13)17-9-10-18(3)12-15-8-11-19-14(15)2/h4-8,11,17H,9-10,12H2,1-3H3
InChIKeyWETLEAVBYQVBPH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.44
Rot. Bonds6

About N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine

N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 62558966) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID62558966
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)Cc1ccoc1C
InChIInChI=1S/C16H22N2O/c1-13-6-4-5-7-16(13)17-9-10-18(3)12-15-8-11-19-14(15)2/h4-8,11,17H,9-10,12H2,1-3H3
InChIKeyWETLEAVBYQVBPH-UHFFFAOYSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 62558100
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
N-(3-fluorophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62558790
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 62554031
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62557063
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114238373

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine (CID 62558966) is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1NCCN(C)Cc1ccoc1C.
What is the InChIKey of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is WETLEAVBYQVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-6-4-5-7-16(13)17-9-10-18(3)12-15-8-11-19-14(15)2/h4-8,11,17H,9-10,12H2,1-3H3.
What are the key properties of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62558966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).