1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C14H16ClNS — CID 82884048

IUPAC1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1C)c1sccc1C
InChIInChI=1S/C14H16ClNS/c1-9-4-5-11(15)8-12(9)13(16-3)14-10(2)6-7-17-14/h4-8,13,16H,1-3H3
InChIKeyNNLAOOGPANYLRU-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.33
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 82884048) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID82884048
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1C)c1sccc1C
InChIInChI=1S/C14H16ClNS/c1-9-4-5-11(15)8-12(9)13(16-3)14-10(2)6-7-17-14/h4-8,13,16H,1-3H3
InChIKeyNNLAOOGPANYLRU-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 82884048) is 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1cc(Cl)ccc1C)c1sccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is NNLAOOGPANYLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-4-5-11(15)8-12(9)13(16-3)14-10(2)6-7-17-14/h4-8,13,16H,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 265.81 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 82884048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).