1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine

C14H16BrNS — CID 115857115

IUPAC1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1c(Br)cccc1C(N)CCc1ccsc1
InChIInChI=1S/C14H16BrNS/c1-10-12(3-2-4-13(10)15)14(16)6-5-11-7-8-17-9-11/h2-4,7-9,14H,5-6,16H2,1H3
InChIKeyJVOXVFYBZOAPCV-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine

1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857115) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID115857115
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1c(Br)cccc1C(N)CCc1ccsc1
InChIInChI=1S/C14H16BrNS/c1-10-12(3-2-4-13(10)15)14(16)6-5-11-7-8-17-9-11/h2-4,7-9,14H,5-6,16H2,1H3
InChIKeyJVOXVFYBZOAPCV-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857234
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
[1-(2-bromophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105208687
1-(3-bromo-2-methylphenyl)octan-1-amine
CID 115832299
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
CID 79449305
1-(3-bromo-2-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 106647676
(1S)-1-(3-bromo-2-methylphenyl)but-3-en-1-amine
CID 130655897
1-(5-methylpyrazin-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147912

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine (CID 115857115) is 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine is Cc1c(Br)cccc1C(N)CCc1ccsc1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is JVOXVFYBZOAPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-12(3-2-4-13(10)15)14(16)6-5-11-7-8-17-9-11/h2-4,7-9,14H,5-6,16H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).