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

C16H21NO2 — CID 54864368

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
SMILESCc1ccc(CNc2cccc(OCC(C)C)c2)o1
InChIInChI=1S/C16H21NO2/c1-12(2)11-18-15-6-4-5-14(9-15)17-10-16-8-7-13(3)19-16/h4-9,12,17H,10-11H2,1-3H3
InChIKeyJLHUVWAEDHSBQM-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.23
Rot. Bonds6

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

N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline (PubChem CID 54864368) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
PubChem CID54864368
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
SMILESCc1ccc(CNc2cccc(OCC(C)C)c2)o1
InChIInChI=1S/C16H21NO2/c1-12(2)11-18-15-6-4-5-14(9-15)17-10-16-8-7-13(3)19-16/h4-9,12,17H,10-11H2,1-3H3
InChIKeyJLHUVWAEDHSBQM-UHFFFAOYSA-N
XLogP4.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
CID 43721153
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
CID 63325074
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline (CID 54864368) is N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline is Cc1ccc(CNc2cccc(OCC(C)C)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline?
The InChIKey is JLHUVWAEDHSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)11-18-15-6-4-5-14(9-15)17-10-16-8-7-13(3)19-16/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline?
N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline has a molecular weight of 259.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline is sourced from PubChem (CID 54864368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).