3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline

C14H17NO3 — CID 113242993

IUPAC3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCOc1cc(NCc2occc2C)cc(OC)c1
InChIInChI=1S/C14H17NO3/c1-10-4-5-18-14(10)9-15-11-6-12(16-2)8-13(7-11)17-3/h4-8,15H,9H2,1-3H3
InChIKeyPNAQKOWYMAVZPI-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.22
Rot. Bonds5

About 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline

3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 113242993) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID113242993
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCOc1cc(NCc2occc2C)cc(OC)c1
InChIInChI=1S/C14H17NO3/c1-10-4-5-18-14(10)9-15-11-6-12(16-2)8-13(7-11)17-3/h4-8,15H,9H2,1-3H3
InChIKeyPNAQKOWYMAVZPI-UHFFFAOYSA-N
XLogP3.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115749492
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115652446
5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115770598
4-ethoxy-2-methyl-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113247946
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 115742858
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline (CID 113242993) is 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline is COc1cc(NCc2occc2C)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is PNAQKOWYMAVZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-5-18-14(10)9-15-11-6-12(16-2)8-13(7-11)17-3/h4-8,15H,9H2,1-3H3.
What are the key properties of 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 247.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 113242993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).