[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine

C15H14BrClFNO — CID 103037907

IUPAC[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14BrClFNO/c1-9-4-12(16)6-11(7-19)15(9)20-8-10-2-3-14(18)13(17)5-10/h2-6H,7-8,19H2,1H3
InChIKeySZPAQWZDRBELGE-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.59
Rot. Bonds4

About [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine

[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 103037907) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID103037907
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14BrClFNO/c1-9-4-12(16)6-11(7-19)15(9)20-8-10-2-3-14(18)13(17)5-10/h2-6H,7-8,19H2,1H3
InChIKeySZPAQWZDRBELGE-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine with MolForge

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Related Compounds

[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
CID 79843197
5-bromo-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methylbenzene
CID 115962338
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 104791340
1-[5-bromo-2-[(4-bromophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115960973
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-1-(chloromethyl)-3-methylbenzene
CID 115962301

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine (CID 103037907) is [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine is Cc1cc(Br)cc(CN)c1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is SZPAQWZDRBELGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9-4-12(16)6-11(7-19)15(9)20-8-10-2-3-14(18)13(17)5-10/h2-6H,7-8,19H2,1H3.
What are the key properties of [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine?
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 358.64 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 103037907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).