1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

C17H19Cl2NO — CID 43079068

IUPAC1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(C2CC2C)o1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-10-7-14(10)17-6-4-13(21-17)9-20-11(2)12-3-5-15(18)16(19)8-12/h3-6,8,10-11,14,20H,7,9H2,1-2H3
InChIKeyUYDXPLNIQLBNTJ-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.56
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (PubChem CID 43079068) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
PubChem CID43079068
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(C2CC2C)o1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-10-7-14(10)17-6-4-13(21-17)9-20-11(2)12-3-5-15(18)16(19)8-12/h3-6,8,10-11,14,20H,7,9H2,1-2H3
InChIKeyUYDXPLNIQLBNTJ-UHFFFAOYSA-N
XLogP5.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81353783
1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 62050449
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
1-(3,4-dichlorophenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 43767841
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (CID 43079068) is 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is CC(NCc1ccc(C2CC2C)o1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The InChIKey is UYDXPLNIQLBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-10-7-14(10)17-6-4-13(21-17)9-20-11(2)12-3-5-15(18)16(19)8-12/h3-6,8,10-11,14,20H,7,9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43079068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).