2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine

C16H21NO2 — CID 105029351

IUPAC2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCNC(Cc1ccco1)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H21NO2/c1-12(2)19-15-7-4-6-13(10-15)16(17-3)11-14-8-5-9-18-14/h4-10,12,16-17H,11H2,1-3H3
InChIKeyIBTLCKWSAGISBQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.57
Rot. Bonds6

About 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine

2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 105029351) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID105029351
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCNC(Cc1ccco1)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H21NO2/c1-12(2)19-15-7-4-6-13(10-15)16(17-3)11-14-8-5-9-18-14/h4-10,12,16-17H,11H2,1-3H3
InChIKeyIBTLCKWSAGISBQ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(furan-2-yl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105177359
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029493
2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 63527212
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-(furan-2-ylmethyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]acetamide
CID 146125544
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
1-ethyl-2-(furan-2-ylmethyl)-3-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109492014
2-(furan-2-yl)-N-methyl-1-thiophen-3-ylethanamine
CID 83175693
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 105024061
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine (CID 105029351) is 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine is CNC(Cc1ccco1)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is IBTLCKWSAGISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)19-15-7-4-6-13(10-15)16(17-3)11-14-8-5-9-18-14/h4-10,12,16-17H,11H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 105029351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).