N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine

C16H21NO2 — CID 62796998

IUPACN-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2ccco2)cc1
InChIInChI=1S/C16H21NO2/c1-3-11-18-14-9-7-13(8-10-14)16(17-4-2)15-6-5-12-19-15/h5-10,12,16-17H,3-4,11H2,1-2H3
InChIKeyMUSRAWFIGOVSHS-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.77
Rot. Bonds7

About N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine

N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine (PubChem CID 62796998) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
PubChem CID62796998
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2ccco2)cc1
InChIInChI=1S/C16H21NO2/c1-3-11-18-14-9-7-13(8-10-14)16(17-4-2)15-6-5-12-19-15/h5-10,12,16-17H,3-4,11H2,1-2H3
InChIKeyMUSRAWFIGOVSHS-UHFFFAOYSA-N
XLogP3.77
TPSA34.40 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281
N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 81403664
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine (CID 62796998) is N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(C(NCC)c2ccco2)cc1.
What is the InChIKey of N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is MUSRAWFIGOVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-11-18-14-9-7-13(8-10-14)16(17-4-2)15-6-5-12-19-15/h5-10,12,16-17H,3-4,11H2,1-2H3.
What are the key properties of N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine?
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62796998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).