N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine

C16H21ClN2O — CID 62428885

IUPACN-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-3-18-10-14-7-8-20-16(14)12-19(2)11-13-5-4-6-15(17)9-13/h4-9,18H,3,10-12H2,1-2H3
InChIKeyMFLWYXOTMJZXMD-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.67
Rot. Bonds7

About N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine

N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62428885) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
PubChem CID62428885
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O/c1-3-18-10-14-7-8-20-16(14)12-19(2)11-13-5-4-6-15(17)9-13/h4-9,18H,3,10-12H2,1-2H3
InChIKeyMFLWYXOTMJZXMD-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

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Related Compounds

N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462355
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
N-[[2-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62411999
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine (CID 62428885) is N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is MFLWYXOTMJZXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-18-10-14-7-8-20-16(14)12-19(2)11-13-5-4-6-15(17)9-13/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-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-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62428885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).