3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine

C14H16BrNS — CID 79416744

IUPAC3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2sccc2Br)c1
InChIInChI=1S/C14H16BrNS/c1-10-3-2-4-11(7-10)12(9-16)8-14-13(15)5-6-17-14/h2-7,12H,8-9,16H2,1H3
InChIKeyOHXKFERAJROSID-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.10
Rot. Bonds4

About 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine

3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 79416744) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
PubChem CID79416744
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2sccc2Br)c1
InChIInChI=1S/C14H16BrNS/c1-10-3-2-4-11(7-10)12(9-16)8-14-13(15)5-6-17-14/h2-7,12H,8-9,16H2,1H3
InChIKeyOHXKFERAJROSID-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromothiophen-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200816
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
3-bromo-2-[3-bromo-2-(3-chlorophenyl)propyl]thiophene
CID 79432265
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105299572
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
CID 81010701
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine (CID 79416744) is 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(CN)Cc2sccc2Br)c1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is OHXKFERAJROSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-3-2-4-11(7-10)12(9-16)8-14-13(15)5-6-17-14/h2-7,12H,8-9,16H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine?
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79416744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).