(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine

C12H10Br2ClNS — CID 107096356

IUPAC(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1cc(Br)sc1Br
InChIInChI=1S/C12H10Br2ClNS/c1-6-7(3-2-4-9(6)15)11(16)8-5-10(13)17-12(8)14/h2-5,11H,16H2,1H3
InChIKeyHHQQBRMVCZWBMK-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.28
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine

(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine (PubChem CID 107096356) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
PubChem CID107096356
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1cc(Br)sc1Br
InChIInChI=1S/C12H10Br2ClNS/c1-6-7(3-2-4-9(6)15)11(16)8-5-10(13)17-12(8)14/h2-5,11H,16H2,1H3
InChIKeyHHQQBRMVCZWBMK-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096564

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine (CID 107096356) is (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine is Cc1c(Cl)cccc1C(N)c1cc(Br)sc1Br.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine?
The InChIKey is HHQQBRMVCZWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c1-6-7(3-2-4-9(6)15)11(16)8-5-10(13)17-12(8)14/h2-5,11H,16H2,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine?
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine has a molecular weight of 395.55 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine is sourced from PubChem (CID 107096356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).