3-chloro-N-(furan-2-ylmethyl)aniline

C11H10ClNO — CID 4986416

IUPAC3-chloro-N-(furan-2-ylmethyl)aniline
SMILESClc1cccc(NCc2ccco2)c1
InChIInChI=1S/C11H10ClNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2
InChIKeyFXAPHDXZEYAVIA-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-N-(furan-2-ylmethyl)aniline

3-chloro-N-(furan-2-ylmethyl)aniline (PubChem CID 4986416) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)aniline
PubChem CID4986416
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name3-chloro-N-(furan-2-ylmethyl)aniline
SMILESClc1cccc(NCc2ccco2)c1
InChIInChI=1S/C11H10ClNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2
InChIKeyFXAPHDXZEYAVIA-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)aniline (CID 4986416) is 3-chloro-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)aniline is Clc1cccc(NCc2ccco2)c1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)aniline?
The InChIKey is FXAPHDXZEYAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)aniline?
3-chloro-N-(furan-2-ylmethyl)aniline has a molecular weight of 207.66 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 4986416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).