1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine

C15H18BrNOS — CID 112615348

IUPAC1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1cc(Br)cs1
InChIInChI=1S/C15H18BrNOS/c1-10-4-3-5-12(6-11(2)17)15(10)18-8-14-7-13(16)9-19-14/h3-5,7,9,11H,6,8,17H2,1-2H3
InChIKeyDCSZOTKYPNWVMY-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.29
Rot. Bonds5

About 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine

1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine (PubChem CID 112615348) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
PubChem CID112615348
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1cc(Br)cs1
InChIInChI=1S/C15H18BrNOS/c1-10-4-3-5-12(6-11(2)17)15(10)18-8-14-7-13(16)9-19-14/h3-5,7,9,11H,6,8,17H2,1-2H3
InChIKeyDCSZOTKYPNWVMY-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
2-[(4-bromothiophen-2-yl)methoxy]-3-methylbenzaldehyde
CID 112610932
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[5-bromo-3-methyl-2-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 112621695
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine (CID 112615348) is 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1cc(Br)cs1.
What is the InChIKey of 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine?
The InChIKey is DCSZOTKYPNWVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-10-4-3-5-12(6-11(2)17)15(10)18-8-14-7-13(16)9-19-14/h3-5,7,9,11H,6,8,17H2,1-2H3.
What are the key properties of 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine?
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 112615348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).