5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline

C15H18ClNO3 — CID 62344876

IUPAC5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
SMILESCCc1ccc(CNc2cc(Cl)c(OC)cc2OC)o1
InChIInChI=1S/C15H18ClNO3/c1-4-10-5-6-11(20-10)9-17-13-7-12(16)14(18-2)8-15(13)19-3/h5-8,17H,4,9H2,1-3H3
InChIKeyZDILGINIBNHTPZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.12
Rot. Bonds6

About 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline

5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline (PubChem CID 62344876) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
PubChem CID62344876
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
SMILESCCc1ccc(CNc2cc(Cl)c(OC)cc2OC)o1
InChIInChI=1S/C15H18ClNO3/c1-4-10-5-6-11(20-10)9-17-13-7-12(16)14(18-2)8-15(13)19-3/h5-8,17H,4,9H2,1-3H3
InChIKeyZDILGINIBNHTPZ-UHFFFAOYSA-N
XLogP4.12
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63426533
N-[(5-ethylfuran-2-yl)methyl]-2-methoxy-4-nitroaniline
CID 62345097
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63431488
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
CID 115761863
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
CID 110006437
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
CID 55062751
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline (CID 62344876) is 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline is CCc1ccc(CNc2cc(Cl)c(OC)cc2OC)o1.
What is the InChIKey of 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline?
The InChIKey is ZDILGINIBNHTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-4-10-5-6-11(20-10)9-17-13-7-12(16)14(18-2)8-15(13)19-3/h5-8,17H,4,9H2,1-3H3.
What are the key properties of 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline?
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline has a molecular weight of 295.77 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 62344876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).