N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine

C17H23NO2 — CID 61065038

IUPACN-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)c1ccc(C)o1
InChIInChI=1S/C17H23NO2/c1-4-10-18-16(17-9-8-13(2)20-17)12-14-6-5-7-15(11-14)19-3/h5-9,11,16,18H,4,10,12H2,1-3H3
InChIKeyYFLCMCVCCRGKLE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 61065038) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID61065038
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)c1ccc(C)o1
InChIInChI=1S/C17H23NO2/c1-4-10-18-16(17-9-8-13(2)20-17)12-14-6-5-7-15(11-14)19-3/h5-9,11,16,18H,4,10,12H2,1-3H3
InChIKeyYFLCMCVCCRGKLE-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 106687830
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
N-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43494996
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 61065038) is N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1)c1ccc(C)o1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is YFLCMCVCCRGKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-10-18-16(17-9-8-13(2)20-17)12-14-6-5-7-15(11-14)19-3/h5-9,11,16,18H,4,10,12H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61065038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).