(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine

C13H9Cl2F2N — CID 114275177

IUPAC(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-8-2-1-3-11(17)12(8)13(18)7-4-5-10(16)9(15)6-7/h1-6,13H,18H2
InChIKeyOUHJKAHBZHOBIO-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.32
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine

(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine (PubChem CID 114275177) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
PubChem CID114275177
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9Cl2F2N/c14-8-2-1-3-11(17)12(8)13(18)7-4-5-10(16)9(15)6-7/h1-6,13H,18H2
InChIKeyOUHJKAHBZHOBIO-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
CID 114275421

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine (CID 114275177) is (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine is NC(c1ccc(F)c(Cl)c1)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine?
The InChIKey is OUHJKAHBZHOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-8-2-1-3-11(17)12(8)13(18)7-4-5-10(16)9(15)6-7/h1-6,13H,18H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine?
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine has a molecular weight of 288.12 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 114275177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).