[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine

C15H14Cl2FNO2 — CID 114847764

IUPAC[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO2/c1-20-14-5-9(7-19)4-12(17)15(14)21-8-10-2-3-11(16)6-13(10)18/h2-6H,7-8,19H2,1H3
InChIKeyFVONKYVJRAUMJC-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.18
Rot. Bonds5

About [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine

[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 114847764) has the molecular formula C15H14Cl2FNO2 and a molecular weight of 330.19 g/mol. Its IUPAC name is [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID114847764
Molecular FormulaC15H14Cl2FNO2
Molecular Weight330.19 g/mol
Exact Mass329.04
IUPAC Name[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO2/c1-20-14-5-9(7-19)4-12(17)15(14)21-8-10-2-3-11(16)6-13(10)18/h2-6H,7-8,19H2,1H3
InChIKeyFVONKYVJRAUMJC-UHFFFAOYSA-N
XLogP4.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 20986328
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
3-chloro-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 5190923
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288950
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332495
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine (CID 114847764) is [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1F.
What is the InChIKey of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is FVONKYVJRAUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2/c1-20-14-5-9(7-19)4-12(17)15(14)21-8-10-2-3-11(16)6-13(10)18/h2-6H,7-8,19H2,1H3.
What are the key properties of [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine?
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 330.19 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 114847764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).