2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

C15H15Cl2NO — CID 65468961

IUPAC2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCC1CC1c1ccc(CNc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H15Cl2NO/c1-9-7-11(9)14-6-5-10(19-14)8-18-15-12(16)3-2-4-13(15)17/h2-6,9,11,18H,7-8H2,1H3
InChIKeyQRNPHMBVHPZICZ-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.32
Rot. Bonds4

About 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (PubChem CID 65468961) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
PubChem CID65468961
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCC1CC1c1ccc(CNc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H15Cl2NO/c1-9-7-11(9)14-6-5-10(19-14)8-18-15-12(16)3-2-4-13(15)17/h2-6,9,11,18H,7-8H2,1H3
InChIKeyQRNPHMBVHPZICZ-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

[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7425173
{[5-(4-Chlorophenyl)furan-2-yl]methyl}(methyl)amine hydrochloride
CID 16247268
1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
CID 4723656
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline
CID 56668954
N-{[5-(4-Chlorophenyl)furan-2-YL]methyl}aniline
CID 28691656
N-((5-(4-chlorophenyl)furan-2-yl)methyl)propan-2-amine hydrochloride
CID 17156343
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
4-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
CID 28510195
3-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
CID 28519059
2-chloro-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]aniline
CID 28519302
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 28535008
2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline
CID 28950691

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (CID 65468961) is 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is CC1CC1c1ccc(CNc2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The InChIKey is QRNPHMBVHPZICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-7-11(9)14-6-5-10(19-14)8-18-15-12(16)3-2-4-13(15)17/h2-6,9,11,18H,7-8H2,1H3.
What are the key properties of 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
2,6-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 2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 65468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).