N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C16H20ClNO2 — CID 62486443

IUPACN-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H20ClNO2/c1-3-12-9-14(5-6-15(12)17)20-11-13-7-8-19-16(13)10-18-4-2/h5-9,18H,3-4,10-11H2,1-2H3
InChIKeyNXLHZHKYKZOLAS-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.18
Rot. Bonds7

About N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62486443) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62486443
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(Cl)c(CC)c1
InChIInChI=1S/C16H20ClNO2/c1-3-12-9-14(5-6-15(12)17)20-11-13-7-8-19-16(13)10-18-4-2/h5-9,18H,3-4,10-11H2,1-2H3
InChIKeyNXLHZHKYKZOLAS-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576593
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63498079
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 55077923
N-[[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 79407348
N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 63497555

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62486443) is N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COc1ccc(Cl)c(CC)c1.
What is the InChIKey of N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is NXLHZHKYKZOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-12-9-14(5-6-15(12)17)20-11-13-7-8-19-16(13)10-18-4-2/h5-9,18H,3-4,10-11H2,1-2H3.
What are the key properties of N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62486443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).