N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine

C15H20N2O — CID 62462915

IUPACN-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)Cc1ccoc1
InChIInChI=1S/C15H20N2O/c1-16-10-15(14-6-4-3-5-7-14)17(2)11-13-8-9-18-12-13/h3-9,12,15-16H,10-11H2,1-2H3
InChIKeyGZSLDHPDTKEOCA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds6

About N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine

N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 62462915) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID62462915
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)Cc1ccoc1
InChIInChI=1S/C15H20N2O/c1-16-10-15(14-6-4-3-5-7-14)17(2)11-13-8-9-18-12-13/h3-9,12,15-16H,10-11H2,1-2H3
InChIKeyGZSLDHPDTKEOCA-UHFFFAOYSA-N
XLogP2.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
2-N-(furan-3-ylmethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072234
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine (CID 62462915) is N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine is CNCC(c1ccccc1)N(C)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is GZSLDHPDTKEOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-10-15(14-6-4-3-5-7-14)17(2)11-13-8-9-18-12-13/h3-9,12,15-16H,10-11H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).