(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine

C15H14Cl2FNO2 — CID 43330575

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C15H14Cl2FNO2/c1-20-12-6-8(10(17)7-13(12)21-2)15(19)14-9(16)4-3-5-11(14)18/h3-7,15H,19H2,1-2H3
InChIKeyGMMIOMUGXCQHDG-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.20
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine

(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine (PubChem CID 43330575) has the molecular formula C15H14Cl2FNO2 and a molecular weight of 330.19 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
PubChem CID43330575
Molecular FormulaC15H14Cl2FNO2
Molecular Weight330.19 g/mol
Exact Mass329.04
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C15H14Cl2FNO2/c1-20-12-6-8(10(17)7-13(12)21-2)15(19)14-9(16)4-3-5-11(14)18/h3-7,15H,19H2,1-2H3
InChIKeyGMMIOMUGXCQHDG-UHFFFAOYSA-N
XLogP4.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075
1-[chloro-(2-chloro-6-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63434780
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(2,6-dichlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032745
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63444828

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine (CID 43330575) is (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine is COc1cc(Cl)c(C(N)c2c(F)cccc2Cl)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine?
The InChIKey is GMMIOMUGXCQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2/c1-20-12-6-8(10(17)7-13(12)21-2)15(19)14-9(16)4-3-5-11(14)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine?
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine has a molecular weight of 330.19 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-6-fluorophenyl)methanamine is sourced from PubChem (CID 43330575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).