N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine

C17H23NO2 — CID 62452453

IUPACN-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCc1ccc(OCc2ccc(CNC(C)C)o2)cc1
InChIInChI=1S/C17H23NO2/c1-4-14-5-7-15(8-6-14)19-12-17-10-9-16(20-17)11-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyKEEIRNITJFICKQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.92
Rot. Bonds7

About N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62452453) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62452453
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCc1ccc(OCc2ccc(CNC(C)C)o2)cc1
InChIInChI=1S/C17H23NO2/c1-4-14-5-7-15(8-6-14)19-12-17-10-9-16(20-17)11-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyKEEIRNITJFICKQ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63496796
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 62452453) is N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine is CCc1ccc(OCc2ccc(CNC(C)C)o2)cc1.
What is the InChIKey of N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is KEEIRNITJFICKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-14-5-7-15(8-6-14)19-12-17-10-9-16(20-17)11-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62452453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).