(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine

C15H14BrClFNO2 — CID 81288247

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)cc(Br)c2OC)ccc1F
InChIInChI=1S/C15H14BrClFNO2/c1-20-13-5-8(3-4-12(13)18)14(19)10-6-9(17)7-11(16)15(10)21-2/h3-7,14H,19H2,1-2H3
InChIKeyYYDVJVLRIDCWCM-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.31
Rot. Bonds4

About (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine

(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 81288247) has the molecular formula C15H14BrClFNO2 and a molecular weight of 374.64 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID81288247
Molecular FormulaC15H14BrClFNO2
Molecular Weight374.64 g/mol
Exact Mass372.99
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)cc(Br)c2OC)ccc1F
InChIInChI=1S/C15H14BrClFNO2/c1-20-13-5-8(3-4-12(13)18)14(19)10-6-9(17)7-11(16)15(10)21-2/h3-7,14H,19H2,1-2H3
InChIKeyYYDVJVLRIDCWCM-UHFFFAOYSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
1-bromo-3-[bromo-(3,4-difluorophenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435640
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine (CID 81288247) is (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2cc(Cl)cc(Br)c2OC)ccc1F.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is YYDVJVLRIDCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO2/c1-20-13-5-8(3-4-12(13)18)14(19)10-6-9(17)7-11(16)15(10)21-2/h3-7,14H,19H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 374.64 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 81288247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).