(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine

C15H18BrNS — CID 55240105

IUPAC(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2sccc2Br)cc1
InChIInChI=1S/C15H18BrNS/c1-15(2,3)11-6-4-10(5-7-11)13(17)14-12(16)8-9-18-14/h4-9,13H,17H2,1-3H3
InChIKeyOMEPDBWMSXPLEX-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.86
Rot. Bonds2

About (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine

(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine (PubChem CID 55240105) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
PubChem CID55240105
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2sccc2Br)cc1
InChIInChI=1S/C15H18BrNS/c1-15(2,3)11-6-4-10(5-7-11)13(17)14-12(16)8-9-18-14/h4-9,13H,17H2,1-3H3
InChIKeyOMEPDBWMSXPLEX-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844
(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105172943
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine (CID 55240105) is (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(C(N)c2sccc2Br)cc1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine?
The InChIKey is OMEPDBWMSXPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-15(2,3)11-6-4-10(5-7-11)13(17)14-12(16)8-9-18-14/h4-9,13H,17H2,1-3H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine?
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine has a molecular weight of 324.29 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 55240105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).