[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine

C16H17Cl2NO3 — CID 20991995

IUPAC[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO3/c1-20-15-9-11(10-19)8-13(18)16(15)22-7-6-21-14-5-3-2-4-12(14)17/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyFKUMJDBDVXFHGU-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.92
Rot. Bonds7

About [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine

[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine (PubChem CID 20991995) has the molecular formula C16H17Cl2NO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
PubChem CID20991995
Molecular FormulaC16H17Cl2NO3
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Name[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCCOc1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO3/c1-20-15-9-11(10-19)8-13(18)16(15)22-7-6-21-14-5-3-2-4-12(14)17/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyFKUMJDBDVXFHGU-UHFFFAOYSA-N
XLogP3.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
CID 22687256
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
[3-chloro-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanamine
CID 113473251
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
[3-chloro-5-methoxy-4-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191093
[3-chloro-4-[2-(2,5-dichlorophenoxy)ethoxy]-5-ethoxyphenyl]methanamine
CID 22679990

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine (CID 20991995) is [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Cl)c1OCCOc1ccccc1Cl.
What is the InChIKey of [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine?
The InChIKey is FKUMJDBDVXFHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3/c1-20-15-9-11(10-19)8-13(18)16(15)22-7-6-21-14-5-3-2-4-12(14)17/h2-5,8-9H,6-7,10,19H2,1H3.
What are the key properties of [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine?
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine has a molecular weight of 342.22 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 20991995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).