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

C15H18ClNS — CID 102763744

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1cc(C)c(Cl)s1
InChIInChI=1S/C15H18ClNS/c1-4-11-7-5-6-8-12(11)14(17-3)13-9-10(2)15(16)18-13/h5-9,14,17H,4H2,1-3H3
InChIKeyJKYXGDPSBREGSS-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.58
Rot. Bonds4

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

1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine (PubChem CID 102763744) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
PubChem CID102763744
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1cc(C)c(Cl)s1
InChIInChI=1S/C15H18ClNS/c1-4-11-7-5-6-8-12(11)14(17-3)13-9-10(2)15(16)18-13/h5-9,14,17H,4H2,1-3H3
InChIKeyJKYXGDPSBREGSS-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-(5-chloro-4-methylthiophen-2-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 102763724
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763637
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022752
1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
N-[(2-bromo-3-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 107982142
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-diethylphenyl)-N-methylmethanamine
CID 79981150
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006641
1-(5-chloro-4-methylthiophen-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763742

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine (CID 102763744) is 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine is CCc1ccccc1C(NC)c1cc(C)c(Cl)s1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine?
The InChIKey is JKYXGDPSBREGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-4-11-7-5-6-8-12(11)14(17-3)13-9-10(2)15(16)18-13/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine?
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 102763744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).