(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine

C16H18BrNOS — CID 79215718

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(SC)cc1
InChIInChI=1S/C16H18BrNOS/c1-10-8-15(19-2)13(9-14(10)17)16(18)11-4-6-12(20-3)7-5-11/h4-9,16H,18H2,1-3H3
InChIKeyULFFOWGYEOUIPT-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.54
Rot. Bonds4

About (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 79215718) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID79215718
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(SC)cc1
InChIInChI=1S/C16H18BrNOS/c1-10-8-15(19-2)13(9-14(10)17)16(18)11-4-6-12(20-3)7-5-11/h4-9,16H,18H2,1-3H3
InChIKeyULFFOWGYEOUIPT-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine (CID 79215718) is (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine is COc1cc(C)c(Br)cc1C(N)c1ccc(SC)cc1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is ULFFOWGYEOUIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-10-8-15(19-2)13(9-14(10)17)16(18)11-4-6-12(20-3)7-5-11/h4-9,16H,18H2,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine?
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 352.30 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79215718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).