(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine

C14H16BrNOS — CID 65237691

IUPAC(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(C)s2)cc1Br
InChIInChI=1S/C14H16BrNOS/c1-8-6-13(18-9(8)2)14(16)10-4-5-12(17-3)11(15)7-10/h4-7,14H,16H2,1-3H3
InChIKeyFHLXUDACJRAHRJ-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.18
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine

(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 65237691) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID65237691
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(C)s2)cc1Br
InChIInChI=1S/C14H16BrNOS/c1-8-6-13(18-9(8)2)14(16)10-4-5-12(17-3)11(15)7-10/h4-7,14H,16H2,1-3H3
InChIKeyFHLXUDACJRAHRJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
3-bromo-5-[(3-bromo-4-methoxyphenyl)-chloromethyl]-2-methylthiophene
CID 102835361
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-methylthiophene
CID 55199246
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238300
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 65237691) is (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is COc1ccc(C(N)c2cc(C)c(C)s2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is FHLXUDACJRAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-8-6-13(18-9(8)2)14(16)10-4-5-12(17-3)11(15)7-10/h4-7,14H,16H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 326.26 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65237691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).