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

C14H16ClNO2 — CID 43562069

IUPACN-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1ccc(OC)cc1Cl
InChIInChI=1S/C14H16ClNO2/c1-3-16-14(13-5-4-8-18-13)11-7-6-10(17-2)9-12(11)15/h4-9,14,16H,3H2,1-2H3
InChIKeyOXOBUCIIMPOMFT-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.64
Rot. Bonds5

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

N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 43562069) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID43562069
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1ccc(OC)cc1Cl
InChIInChI=1S/C14H16ClNO2/c1-3-16-14(13-5-4-8-18-13)11-7-6-10(17-2)9-12(11)15/h4-9,14,16H,3H2,1-2H3
InChIKeyOXOBUCIIMPOMFT-UHFFFAOYSA-N
XLogP3.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43492710
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine (CID 43562069) is N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)c1ccc(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is OXOBUCIIMPOMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-3-16-14(13-5-4-8-18-13)11-7-6-10(17-2)9-12(11)15/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 43562069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).