N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C17H23NO2 — CID 105029819

IUPACN-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1ccc(OCC)cc1
InChIInChI=1S/C17H23NO2/c1-3-10-18-17(12-14-9-11-19-13-14)15-5-7-16(8-6-15)20-4-2/h5-9,11,13,17-18H,3-4,10,12H2,1-2H3
InChIKeyNENWELMBFZRFLW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.96
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105029819) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105029819
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1ccc(OCC)cc1
InChIInChI=1S/C17H23NO2/c1-3-10-18-17(12-14-9-11-19-13-14)15-5-7-16(8-6-15)20-4-2/h5-9,11,13,17-18H,3-4,10,12H2,1-2H3
InChIKeyNENWELMBFZRFLW-UHFFFAOYSA-N
XLogP3.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029671
1-(3-ethoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175084
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 105029819) is N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1ccc(OCC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is NENWELMBFZRFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-10-18-17(12-14-9-11-19-13-14)15-5-7-16(8-6-15)20-4-2/h5-9,11,13,17-18H,3-4,10,12H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105029819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).