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

C17H19Cl2NO3 — CID 20987890

IUPAC[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO3/c1-11-7-13(3-4-14(11)18)22-5-6-23-17-15(19)8-12(10-20)9-16(17)21-2/h3-4,7-9H,5-6,10,20H2,1-2H3
InChIKeyUVMLOHWZKXJPHK-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.23
Rot. Bonds7

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

[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine (PubChem CID 20987890) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
PubChem CID20987890
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO3/c1-11-7-13(3-4-14(11)18)22-5-6-23-17-15(19)8-12(10-20)9-16(17)21-2/h3-4,7-9H,5-6,10,20H2,1-2H3
InChIKeyUVMLOHWZKXJPHK-UHFFFAOYSA-N
XLogP4.23
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.23
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

[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
[3-chloro-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22684216
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
CID 22687256
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
[3-chloro-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanamine
CID 113473251
[3-chloro-5-methoxy-4-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191093
3-bromo-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 2219723
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine (CID 20987890) is [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine?
The InChIKey is UVMLOHWZKXJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c1-11-7-13(3-4-14(11)18)22-5-6-23-17-15(19)8-12(10-20)9-16(17)21-2/h3-4,7-9H,5-6,10,20H2,1-2H3.
What are the key properties of [3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine?
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine has a molecular weight of 356.25 g/mol, XLogP of 4.23, 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-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 20987890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).