N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine

C14H15Cl2NO2 — CID 106684605

IUPACN-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1ccoc1Cl
InChIInChI=1S/C14H15Cl2NO2/c1-3-17-13(10-6-7-19-14(10)16)11-8-9(15)4-5-12(11)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyROKDJGXIZSKVSJ-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.29
Rot. Bonds5

About N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 106684605) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
PubChem CID106684605
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC NameN-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1ccoc1Cl
InChIInChI=1S/C14H15Cl2NO2/c1-3-17-13(10-6-7-19-14(10)16)11-8-9(15)4-5-12(11)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyROKDJGXIZSKVSJ-UHFFFAOYSA-N
XLogP4.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 115861522
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238
N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491448
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104545900
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine (CID 106684605) is N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1OC)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is ROKDJGXIZSKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-3-17-13(10-6-7-19-14(10)16)11-8-9(15)4-5-12(11)18-2/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 300.19 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 106684605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).