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

C16H21NO2 — CID 83174801

IUPACN-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1cccc(OC)c1
InChIInChI=1S/C16H21NO2/c1-3-9-17-16(12-15-8-5-10-19-15)13-6-4-7-14(11-13)18-2/h4-8,10-11,16-17H,3,9,12H2,1-2H3
InChIKeySLZMQXLJZOEZGE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.57
Rot. Bonds7

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

N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 83174801) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID83174801
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1cccc(OC)c1
InChIInChI=1S/C16H21NO2/c1-3-9-17-16(12-15-8-5-10-19-15)13-6-4-7-14(11-13)18-2/h4-8,10-11,16-17H,3,9,12H2,1-2H3
InChIKeySLZMQXLJZOEZGE-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029493
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine (CID 83174801) is N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is SLZMQXLJZOEZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-9-17-16(12-15-8-5-10-19-15)13-6-4-7-14(11-13)18-2/h4-8,10-11,16-17H,3,9,12H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 83174801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).