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

C14H17NO3 — CID 63204186

IUPACN-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2ccoc2)c1
InChIInChI=1S/C14H17NO3/c1-16-7-8-18-14-4-2-3-13(9-14)15-10-12-5-6-17-11-12/h2-6,9,11,15H,7-8,10H2,1H3
InChIKeyOFXAGZJQTOMTDU-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.92
Rot. Bonds7

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

N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline (PubChem CID 63204186) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
PubChem CID63204186
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2ccoc2)c1
InChIInChI=1S/C14H17NO3/c1-16-7-8-18-14-4-2-3-13(9-14)15-10-12-5-6-17-11-12/h2-6,9,11,15H,7-8,10H2,1H3
InChIKeyOFXAGZJQTOMTDU-UHFFFAOYSA-N
XLogP2.92
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
3-(2-methoxyethoxy)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60936529
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
CID 133374314
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 102834449
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline (CID 63204186) is N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NCc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline?
The InChIKey is OFXAGZJQTOMTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-16-7-8-18-14-4-2-3-13(9-14)15-10-12-5-6-17-11-12/h2-6,9,11,15H,7-8,10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline?
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline has a molecular weight of 247.29 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 63204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).