1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

C14H15Cl2NS — CID 102763666

IUPAC1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-8-4-10(7-11(15)5-8)13(17-3)12-6-9(2)14(16)18-12/h4-7,13,17H,1-3H3
InChIKeyBVXSDXBBVSPRRB-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.98
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 102763666) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID102763666
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-8-4-10(7-11(15)5-8)13(17-3)12-6-9(2)14(16)18-12/h4-7,13,17H,1-3H3
InChIKeyBVXSDXBBVSPRRB-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323718
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 102827385
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 107950722
1-(3-chloro-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778
1-(5-chloro-4-methylthiophen-2-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 102763724
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 102763751
1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763637
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (CID 102763666) is 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)cc(Cl)c1)c1cc(C)c(Cl)s1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is BVXSDXBBVSPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-8-4-10(7-11(15)5-8)13(17-3)12-6-9(2)14(16)18-12/h4-7,13,17H,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 102763666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).