5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline

C15H18ClNO2 — CID 54864869

IUPAC5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1ccc(C)o1
InChIInChI=1S/C15H18ClNO2/c1-3-8-18-15-7-5-12(16)9-14(15)17-10-13-6-4-11(2)19-13/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyBGCRVIVMOQTENY-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.64
Rot. Bonds6

About 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline

5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline (PubChem CID 54864869) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
PubChem CID54864869
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1ccc(C)o1
InChIInChI=1S/C15H18ClNO2/c1-3-8-18-15-7-5-12(16)9-14(15)17-10-13-6-4-11(2)19-13/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyBGCRVIVMOQTENY-UHFFFAOYSA-N
XLogP4.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
5-[(5-chloro-2-propoxyanilino)methyl]furan-3-carboxylic acid
CID 104608688
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
CID 107685652
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline (CID 54864869) is 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NCc1ccc(C)o1.
What is the InChIKey of 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline?
The InChIKey is BGCRVIVMOQTENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-8-18-15-7-5-12(16)9-14(15)17-10-13-6-4-11(2)19-13/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline?
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline has a molecular weight of 279.77 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline is sourced from PubChem (CID 54864869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).