N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine

C16H21ClN2O — CID 62412356

IUPACN-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H21ClN2O/c1-3-18-10-15-8-9-16(20-15)12-19(2)11-13-4-6-14(17)7-5-13/h4-9,18H,3,10-12H2,1-2H3
InChIKeyXSXMEFXHJQYNLB-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.67
Rot. Bonds7

About N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine

N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62412356) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
PubChem CID62412356
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H21ClN2O/c1-3-18-10-15-8-9-16(20-15)12-19(2)11-13-4-6-14(17)7-5-13/h4-9,18H,3,10-12H2,1-2H3
InChIKeyXSXMEFXHJQYNLB-UHFFFAOYSA-N
XLogP3.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 62422093
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461555
N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]ethanamine
CID 114792502
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55256758
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62461260
1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine
CID 62983851
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine (CID 62412356) is N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(CN(C)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is XSXMEFXHJQYNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-18-10-15-8-9-16(20-15)12-19(2)11-13-4-6-14(17)7-5-13/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 292.81 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62412356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).