N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C15H18ClFN2O — CID 103605184

IUPACN'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(F)cc1Cl)c1ccco1
InChIInChI=1S/C15H18ClFN2O/c1-19(2)14(15-4-3-7-20-15)10-18-9-11-5-6-12(17)8-13(11)16/h3-8,14,18H,9-10H2,1-2H3
InChIKeyHZMXDPAHGIOHPK-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.46
Rot. Bonds6

About N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 103605184) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID103605184
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC NameN'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(F)cc1Cl)c1ccco1
InChIInChI=1S/C15H18ClFN2O/c1-19(2)14(15-4-3-7-20-15)10-18-9-11-5-6-12(17)8-13(11)16/h3-8,14,18H,9-10H2,1-2H3
InChIKeyHZMXDPAHGIOHPK-UHFFFAOYSA-N
XLogP3.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
N'-[(5-chloro-2-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 115761417
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 103953071
N'-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60658274
N'-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 86907070
2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
CID 43202369
[2-(2-chloro-4-fluorophenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213440
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202391
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416512

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 103605184) is N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNCc1ccc(F)cc1Cl)c1ccco1.
What is the InChIKey of N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is HZMXDPAHGIOHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-19(2)14(15-4-3-7-20-15)10-18-9-11-5-6-12(17)8-13(11)16/h3-8,14,18H,9-10H2,1-2H3.
What are the key properties of N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 296.77 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 103605184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).