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

C14H12BrF2NO — CID 106942165

IUPAC(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C14H12BrF2NO/c1-19-9-4-2-8(3-5-9)14(18)12-11(16)7-6-10(15)13(12)17/h2-7,14H,18H2,1H3
InChIKeyJVPXBOMTXYFTDK-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.78
Rot. Bonds3

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

(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine (PubChem CID 106942165) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
PubChem CID106942165
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C14H12BrF2NO/c1-19-9-4-2-8(3-5-9)14(18)12-11(16)7-6-10(15)13(12)17/h2-7,14H,18H2,1H3
InChIKeyJVPXBOMTXYFTDK-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.78
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)-(4-fluorophenyl)methanamine
CID 106942181
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607953
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 106941240
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine (CID 106942165) is (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2c(F)ccc(Br)c2F)cc1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is JVPXBOMTXYFTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-19-9-4-2-8(3-5-9)14(18)12-11(16)7-6-10(15)13(12)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine?
(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 328.16 g/mol, XLogP of 3.78, 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-methoxyphenyl)methanamine is sourced from PubChem (CID 106942165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).