(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine

C15H17Br2NS — CID 107969258

IUPAC(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2cc(Br)sc2Br)c1
InChIInChI=1S/C15H17Br2NS/c1-9(2)6-10-4-3-5-11(7-10)14(18)12-8-13(16)19-15(12)17/h3-5,7-9,14H,6,18H2,1-2H3
InChIKeyDSESJFRHBNMOJS-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.52
Rot. Bonds4

About (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine

(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 107969258) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID107969258
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC Name(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2cc(Br)sc2Br)c1
InChIInChI=1S/C15H17Br2NS/c1-9(2)6-10-4-3-5-11(7-10)14(18)12-8-13(16)19-15(12)17/h3-5,7-9,14H,6,18H2,1-2H3
InChIKeyDSESJFRHBNMOJS-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
CID 105188049
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
CID 107969813
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine (CID 107969258) is (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2cc(Br)sc2Br)c1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is DSESJFRHBNMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-9(2)6-10-4-3-5-11(7-10)14(18)12-8-13(16)19-15(12)17/h3-5,7-9,14H,6,18H2,1-2H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine?
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 403.18 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 107969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).