N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine

C16H21NO2 — CID 106887708

IUPACN-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccccc1OC(C)C
InChIInChI=1S/C16H21NO2/c1-4-17-11-16-14(9-10-18-16)13-7-5-6-8-15(13)19-12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyMQYDQIARBCWHLO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.84
Rot. Bonds6

About N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine

N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887708) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106887708
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccccc1OC(C)C
InChIInChI=1S/C16H21NO2/c1-4-17-11-16-14(9-10-18-16)13-7-5-6-8-15(13)19-12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyMQYDQIARBCWHLO-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
CID 106888958
N-[[3-(furan-2-yl)furan-2-yl]methyl]ethanamine
CID 106887249
N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine
CID 106887171
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
CID 106887026
N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine
CID 106888311
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
CID 106887200
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
CID 102987125
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine (CID 106887708) is N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1ccccc1OC(C)C.
What is the InChIKey of N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is MQYDQIARBCWHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-17-11-16-14(9-10-18-16)13-7-5-6-8-15(13)19-12(2)3/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).