(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine

C12H12BrNS — CID 61102439

IUPAC(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrNS/c1-8-3-2-4-9(7-8)12(14)10-5-6-11(13)15-10/h2-7,12H,14H2,1H3
InChIKeyBTXMVOFBSUHANE-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.87
Rot. Bonds2

About (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine

(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine (PubChem CID 61102439) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
PubChem CID61102439
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrNS/c1-8-3-2-4-9(7-8)12(14)10-5-6-11(13)15-10/h2-7,12H,14H2,1H3
InChIKeyBTXMVOFBSUHANE-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
2-bromo-5-[bromo-(3,5-dimethylphenyl)methyl]thiophene
CID 63444428
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474194
1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
CID 62771792
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
CID 61102813
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine (CID 61102439) is (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine is Cc1cccc(C(N)c2ccc(Br)s2)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine?
The InChIKey is BTXMVOFBSUHANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-8-3-2-4-9(7-8)12(14)10-5-6-11(13)15-10/h2-7,12H,14H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine?
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine has a molecular weight of 282.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 61102439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).