(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine

C14H11BrClF2NO — CID 106943162

IUPAC(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrClF2NO/c1-20-11-6-7(16)2-3-8(11)14(19)12-10(17)5-4-9(15)13(12)18/h2-6,14H,19H2,1H3
InChIKeyYUSYJBJIRHEQRJ-UHFFFAOYSA-N
MW362.60 g/mol
LogP4.44
Rot. Bonds3

About (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine

(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine (PubChem CID 106943162) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
PubChem CID106943162
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrClF2NO/c1-20-11-6-7(16)2-3-8(11)14(19)12-10(17)5-4-9(15)13(12)18/h2-6,14H,19H2,1H3
InChIKeyYUSYJBJIRHEQRJ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
CID 106942443
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
CID 106942165
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine (CID 106943162) is (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine is COc1cc(Cl)ccc1C(N)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
The InChIKey is YUSYJBJIRHEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c1-20-11-6-7(16)2-3-8(11)14(19)12-10(17)5-4-9(15)13(12)18/h2-6,14H,19H2,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine has a molecular weight of 362.60 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 106943162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).