N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline

C17H14ClNO — CID 28691656

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline
SMILESClc1ccc(-c2ccc(CNc3ccccc3)o2)cc1
InChIInChI=1S/C17H14ClNO/c18-14-8-6-13(7-9-14)17-11-10-16(20-17)12-19-15-4-2-1-3-5-15/h1-11,19H,12H2
InChIKeyWVQAZHAKXRDZNT-UHFFFAOYSA-N
MW283.76 g/mol
LogP5.21
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline (PubChem CID 28691656) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline
PubChem CID28691656
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline
SMILESClc1ccc(-c2ccc(CNc3ccccc3)o2)cc1
InChIInChI=1S/C17H14ClNO/c18-14-8-6-13(7-9-14)17-11-10-16(20-17)12-19-15-4-2-1-3-5-15/h1-11,19H,12H2
InChIKeyWVQAZHAKXRDZNT-UHFFFAOYSA-N
XLogP5.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline (CID 28691656) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline is Clc1ccc(-c2ccc(CNc3ccccc3)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline?
The InChIKey is WVQAZHAKXRDZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-14-8-6-13(7-9-14)17-11-10-16(20-17)12-19-15-4-2-1-3-5-15/h1-11,19H,12H2.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline has a molecular weight of 283.76 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 28691656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).