3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

C15H15Cl2NO — CID 43107978

IUPAC3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCC1CC1c1ccc(CNc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H15Cl2NO/c1-9-6-12(9)15-5-3-11(19-15)8-18-10-2-4-13(16)14(17)7-10/h2-5,7,9,12,18H,6,8H2,1H3
InChIKeyBGWBNHHOSXOLDR-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.32
Rot. Bonds4

About 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (PubChem CID 43107978) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
PubChem CID43107978
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCC1CC1c1ccc(CNc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H15Cl2NO/c1-9-6-12(9)15-5-3-11(19-15)8-18-10-2-4-13(16)14(17)7-10/h2-5,7,9,12,18H,6,8H2,1H3
InChIKeyBGWBNHHOSXOLDR-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193593
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43079068
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732667
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
CID 43746416
4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 43195287
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
CID 43715050
2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
CID 43690494
4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43093359
4-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-nitroaniline
CID 79753613

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (CID 43107978) is 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is CC1CC1c1ccc(CNc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The InChIKey is BGWBNHHOSXOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-6-12(9)15-5-3-11(19-15)8-18-10-2-4-13(16)14(17)7-10/h2-5,7,9,12,18H,6,8H2,1H3.
What are the key properties of 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline has a molecular weight of 296.20 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 43107978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).