N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline

C15H19NO3 — CID 62347377

IUPACN-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
SMILESCCc1ccc(CNc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C15H19NO3/c1-4-12-6-7-13(19-12)10-16-11-5-8-14(17-2)15(9-11)18-3/h5-9,16H,4,10H2,1-3H3
InChIKeyKUQYUGKFAIGYIE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.47
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline

N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline (PubChem CID 62347377) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
PubChem CID62347377
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
SMILESCCc1ccc(CNc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C15H19NO3/c1-4-12-6-7-13(19-12)10-16-11-5-8-14(17-2)15(9-11)18-3/h5-9,16H,4,10H2,1-3H3
InChIKeyKUQYUGKFAIGYIE-UHFFFAOYSA-N
XLogP3.47
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.47
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-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63426533
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
CID 43743697
3-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43380614
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
4-bromo-N-[(5-ethylfuran-2-yl)methyl]-3-iodoaniline
CID 114259462
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
CID 62345235
N-[(5-ethylfuran-2-yl)methyl]-2-methoxy-4-nitroaniline
CID 62345097
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline
CID 75500026

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline (CID 62347377) is N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline is CCc1ccc(CNc2ccc(OC)c(OC)c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline?
The InChIKey is KUQYUGKFAIGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-12-6-7-13(19-12)10-16-11-5-8-14(17-2)15(9-11)18-3/h5-9,16H,4,10H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline?
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline has a molecular weight of 261.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline is sourced from PubChem (CID 62347377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).