[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine

C16H21NO2 — CID 115493308

IUPAC[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
SMILESCCCCc1ccc(OCc2cc(CN)co2)cc1
InChIInChI=1S/C16H21NO2/c1-2-3-4-13-5-7-15(8-6-13)19-12-16-9-14(10-17)11-18-16/h5-9,11H,2-4,10,12,17H2,1H3
InChIKeyAFTXWCXOUQKXFX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.66
Rot. Bonds7

About [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine

[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 115493308) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
PubChem CID115493308
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
SMILESCCCCc1ccc(OCc2cc(CN)co2)cc1
InChIInChI=1S/C16H21NO2/c1-2-3-4-13-5-7-15(8-6-13)19-12-16-9-14(10-17)11-18-16/h5-9,11H,2-4,10,12,17H2,1H3
InChIKeyAFTXWCXOUQKXFX-UHFFFAOYSA-N
XLogP3.66
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763
[5-(butoxymethyl)furan-3-yl]methanamine
CID 62451528
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-3-yl]methanamine
CID 55075492
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
CID 115493361
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
[5-(2-ethoxyethoxymethyl)furan-3-yl]methanamine
CID 62444313
3-[(4-butylphenoxy)methyl]bicyclo[4.1.0]hepta-1(7),2,4,6-tetraene
CID 170259911
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218

Frequently Asked Questions

What is the IUPAC name of [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine (CID 115493308) is [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine is CCCCc1ccc(OCc2cc(CN)co2)cc1.
What is the InChIKey of [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is AFTXWCXOUQKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-4-13-5-7-15(8-6-13)19-12-16-9-14(10-17)11-18-16/h5-9,11H,2-4,10,12,17H2,1H3.
What are the key properties of [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine?
[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 115493308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).