(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine

C16H20BrNS — CID 65279555

IUPAC(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C16H20BrNS/c1-10-9-13(17)15(19-10)14(18)11-5-7-12(8-6-11)16(2,3)4/h5-9,14H,18H2,1-4H3
InChIKeyHMRYDFDNFZJKRB-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.16
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine (PubChem CID 65279555) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
PubChem CID65279555
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C16H20BrNS/c1-10-9-13(17)15(19-10)14(18)11-5-7-12(8-6-11)16(2,3)4/h5-9,14H,18H2,1-4H3
InChIKeyHMRYDFDNFZJKRB-UHFFFAOYSA-N
XLogP5.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
CID 79693206
1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 65279659
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 65279285
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(4-bromo-3-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81290487
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine (CID 65279555) is (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine is Cc1cc(Br)c(C(N)c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine?
The InChIKey is HMRYDFDNFZJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-10-9-13(17)15(19-10)14(18)11-5-7-12(8-6-11)16(2,3)4/h5-9,14H,18H2,1-4H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine has a molecular weight of 338.31 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 65279555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).