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

C16H21NO — CID 43395358

IUPAC2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCc2ccco2)cc1
InChIInChI=1S/C16H21NO/c1-13(2)15-7-5-14(6-8-15)12-17-10-9-16-4-3-11-18-16/h3-8,11,13,17H,9-10,12H2,1-2H3
InChIKeyYRFISANDZIMTER-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.74
Rot. Bonds6

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

2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 43395358) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID43395358
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCc2ccco2)cc1
InChIInChI=1S/C16H21NO/c1-13(2)15-7-5-14(6-8-15)12-17-10-9-16-4-3-11-18-16/h3-8,11,13,17H,9-10,12H2,1-2H3
InChIKeyYRFISANDZIMTER-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 113328695
N-[(3-bromo-4-methylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 115875898
2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408059
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 60664542
1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515376
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 43395358) is 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNCCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is YRFISANDZIMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(2)15-7-5-14(6-8-15)12-17-10-9-16-4-3-11-18-16/h3-8,11,13,17H,9-10,12H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43395358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).