N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C16H20ClNO2 — CID 62484481

IUPACN-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)o1
InChIInChI=1S/C16H20ClNO2/c1-4-18-9-13-5-6-14(20-13)10-19-15-7-11(2)16(17)12(3)8-15/h5-8,18H,4,9-10H2,1-3H3
InChIKeyIFCQDAILTKFNJH-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.24
Rot. Bonds6

About N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62484481) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62484481
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)o1
InChIInChI=1S/C16H20ClNO2/c1-4-18-9-13-5-6-14(20-13)10-19-15-7-11(2)16(17)12(3)8-15/h5-8,18H,4,9-10H2,1-3H3
InChIKeyIFCQDAILTKFNJH-UHFFFAOYSA-N
XLogP4.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451647
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62485481
N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 19584996
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
(E)-3-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553184

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62484481) is N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)o1.
What is the InChIKey of N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is IFCQDAILTKFNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-4-18-9-13-5-6-14(20-13)10-19-15-7-11(2)16(17)12(3)8-15/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62484481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).