[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine

C14H16BrNOS — CID 60880164

IUPAC[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1ccc(Br)s1
InChIInChI=1S/C14H16BrNOS/c1-9-5-11(7-16)6-10(2)14(9)17-8-12-3-4-13(15)18-12/h3-6H,7-8,16H2,1-2H3
InChIKeyYMGAGXSBJRBJIA-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.17
Rot. Bonds4

About [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine

[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine (PubChem CID 60880164) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
PubChem CID60880164
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1ccc(Br)s1
InChIInChI=1S/C14H16BrNOS/c1-9-5-11(7-16)6-10(2)14(9)17-8-12-3-4-13(15)18-12/h3-6H,7-8,16H2,1-2H3
InChIKeyYMGAGXSBJRBJIA-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine with MolForge

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Related Compounds

5-bromo-2-[(5-bromothiophen-2-yl)methoxy]-3-methylaniline
CID 79843438
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 54930992
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 60879041
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
3-bromo-4-[(5-bromothiophen-2-yl)methoxy]-5-ethoxybenzaldehyde
CID 43627017
N-[[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 63500605

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine (CID 60880164) is [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1OCc1ccc(Br)s1.
What is the InChIKey of [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is YMGAGXSBJRBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9-5-11(7-16)6-10(2)14(9)17-8-12-3-4-13(15)18-12/h3-6H,7-8,16H2,1-2H3.
What are the key properties of [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine?
[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 326.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 60880164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).