N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C15H18Cl2N2O — CID 60789165

IUPACN'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCc1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C15H18Cl2N2O/c1-19(2)14(15-4-3-5-20-15)10-18-9-11-6-12(16)8-13(17)7-11/h3-8,14,18H,9-10H2,1-2H3
InChIKeyWCKCVWKBKIPHEX-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.98
Rot. Bonds6

About N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 60789165) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID60789165
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC NameN'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCc1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C15H18Cl2N2O/c1-19(2)14(15-4-3-5-20-15)10-18-9-11-6-12(16)8-13(17)7-11/h3-8,14,18H,9-10H2,1-2H3
InChIKeyWCKCVWKBKIPHEX-UHFFFAOYSA-N
XLogP3.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5-chloro-2-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 115761417
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103605184
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
N'-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 86978924
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
N'-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60658274
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 86978923
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 119125227
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 103953071
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 60789165) is N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNCc1cc(Cl)cc(Cl)c1)c1ccco1.
What is the InChIKey of N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is WCKCVWKBKIPHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-19(2)14(15-4-3-5-20-15)10-18-9-11-6-12(16)8-13(17)7-11/h3-8,14,18H,9-10H2,1-2H3.
What are the key properties of N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 313.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 60789165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).