(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine

C13H9BrCl2FN — CID 106648113

IUPAC(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1cccc(Br)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-5-1-4-8(12(9)17)13(18)7-3-2-6-10(15)11(7)16/h1-6,13H,18H2
InChIKeyCOKAXWUQWLAERL-UHFFFAOYSA-N
MW349.03 g/mol
LogP4.94
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine

(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine (PubChem CID 106648113) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
PubChem CID106648113
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1cccc(Br)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-5-1-4-8(12(9)17)13(18)7-3-2-6-10(15)11(7)16/h1-6,13H,18H2
InChIKeyCOKAXWUQWLAERL-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine (CID 106648113) is (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine is NC(c1cccc(Br)c1F)c1cccc(Cl)c1Cl.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine?
The InChIKey is COKAXWUQWLAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-9-5-1-4-8(12(9)17)13(18)7-3-2-6-10(15)11(7)16/h1-6,13H,18H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine?
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine has a molecular weight of 349.03 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine is sourced from PubChem (CID 106648113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).