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

C13H9Br2F2N — CID 114559070

IUPAC(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1c(F)cccc1Br
InChIInChI=1S/C13H9Br2F2N/c14-8-2-1-3-11(17)12(8)13(18)7-4-5-10(16)9(15)6-7/h1-6,13H,18H2
InChIKeyFAROVEKVRZWMQR-UHFFFAOYSA-N
MW377.03 g/mol
LogP4.54
Rot. Bonds2

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

(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine (PubChem CID 114559070) has the molecular formula C13H9Br2F2N and a molecular weight of 377.03 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
PubChem CID114559070
Molecular FormulaC13H9Br2F2N
Molecular Weight377.03 g/mol
Exact Mass374.91
IUPAC Name(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)c(Br)c1)c1c(F)cccc1Br
InChIInChI=1S/C13H9Br2F2N/c14-8-2-1-3-11(17)12(8)13(18)7-4-5-10(16)9(15)6-7/h1-6,13H,18H2
InChIKeyFAROVEKVRZWMQR-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
CID 79746840
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
CID 79743561
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine (CID 114559070) is (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine is NC(c1ccc(F)c(Br)c1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine?
The InChIKey is FAROVEKVRZWMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2N/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-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine?
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine has a molecular weight of 377.03 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine is sourced from PubChem (CID 114559070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).