2,5-dichloro-N-(furan-2-ylmethyl)aniline

C11H9Cl2NO — CID 18778634

IUPAC2,5-dichloro-N-(furan-2-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2ccco2)c1
InChIInChI=1S/C11H9Cl2NO/c12-8-3-4-10(13)11(6-8)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyMZKNMPBNIIWKPL-UHFFFAOYSA-N
MW242.11 g/mol
LogP4.20
Rot. Bonds3

About 2,5-dichloro-N-(furan-2-ylmethyl)aniline

2,5-dichloro-N-(furan-2-ylmethyl)aniline (PubChem CID 18778634) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 2,5-dichloro-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(furan-2-ylmethyl)aniline
PubChem CID18778634
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name2,5-dichloro-N-(furan-2-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2ccco2)c1
InChIInChI=1S/C11H9Cl2NO/c12-8-3-4-10(13)11(6-8)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyMZKNMPBNIIWKPL-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904
N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809868
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
3-chloro-4-(furan-2-ylmethylamino)benzenecarbothioamide
CID 55181413
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049
2-chloro-N-(furan-2-ylmethyl)pyridin-3-amine
CID 43689872

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(furan-2-ylmethyl)aniline (CID 18778634) is 2,5-dichloro-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(furan-2-ylmethyl)aniline is Clc1ccc(Cl)c(NCc2ccco2)c1.
What is the InChIKey of 2,5-dichloro-N-(furan-2-ylmethyl)aniline?
The InChIKey is MZKNMPBNIIWKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-8-3-4-10(13)11(6-8)14-7-9-2-1-5-15-9/h1-6,14H,7H2.
What are the key properties of 2,5-dichloro-N-(furan-2-ylmethyl)aniline?
2,5-dichloro-N-(furan-2-ylmethyl)aniline has a molecular weight of 242.11 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 18778634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).