(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine

C14H15BrClNS — CID 103401154

IUPAC(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2scc(C)c2Cl)c(C)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-7-5-11(15)8(2)4-10(7)13(17)14-12(16)9(3)6-18-14/h4-6,13H,17H2,1-3H3
InChIKeyYCIVLEZDXOXOGM-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.14
Rot. Bonds2

About (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine

(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine (PubChem CID 103401154) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
PubChem CID103401154
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2scc(C)c2Cl)c(C)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-7-5-11(15)8(2)4-10(7)13(17)14-12(16)9(3)6-18-14/h4-6,13H,17H2,1-3H3
InChIKeyYCIVLEZDXOXOGM-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103401157
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400588
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401379
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 103401324
(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401408
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 103400599
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine (CID 103401154) is (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine is Cc1cc(C(N)c2scc(C)c2Cl)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
The InChIKey is YCIVLEZDXOXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-7-5-11(15)8(2)4-10(7)13(17)14-12(16)9(3)6-18-14/h4-6,13H,17H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine has a molecular weight of 344.71 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 103401154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).