1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine

C17H23ClN2O — CID 62983851

IUPAC1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine
SMILESCCNCc1ccc(CN(C)C(C)c2ccccc2Cl)o1
InChIInChI=1S/C17H23ClN2O/c1-4-19-11-14-9-10-15(21-14)12-20(3)13(2)16-7-5-6-8-17(16)18/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyLASADPZKIZNWTH-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.24
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine

1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine (PubChem CID 62983851) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine
PubChem CID62983851
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine
SMILESCCNCc1ccc(CN(C)C(C)c2ccccc2Cl)o1
InChIInChI=1S/C17H23ClN2O/c1-4-19-11-14-9-10-15(21-14)12-20(3)13(2)16-7-5-6-8-17(16)18/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyLASADPZKIZNWTH-UHFFFAOYSA-N
XLogP4.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62461260
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62984222
N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62412356
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 62979014
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461555
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine (CID 62983851) is 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine is CCNCc1ccc(CN(C)C(C)c2ccccc2Cl)o1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine?
The InChIKey is LASADPZKIZNWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-4-19-11-14-9-10-15(21-14)12-20(3)13(2)16-7-5-6-8-17(16)18/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine?
1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine has a molecular weight of 306.84 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 62983851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).