N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine

C18H24ClNS — CID 106861143

IUPACN-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)s1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H24ClNS/c1-6-20-17(13-8-7-12(2)11-14(13)19)15-9-10-16(21-15)18(3,4)5/h7-11,17,20H,6H2,1-5H3
InChIKeyQSNTYRNVOXHCLM-UHFFFAOYSA-N
MW321.92 g/mol
LogP5.71
Rot. Bonds4

About N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine

N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine (PubChem CID 106861143) has the molecular formula C18H24ClNS and a molecular weight of 321.92 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine
PubChem CID106861143
Molecular FormulaC18H24ClNS
Molecular Weight321.92 g/mol
Exact Mass321.13
IUPAC NameN-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)s1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H24ClNS/c1-6-20-17(13-8-7-12(2)11-14(13)19)15-9-10-16(21-15)18(3,4)5/h7-11,17,20H,6H2,1-5H3
InChIKeyQSNTYRNVOXHCLM-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.92
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
CID 107987595
N-[(5-tert-butylthiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107950847
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
CID 107961243
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
[(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106860041
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106859024

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine (CID 106861143) is N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)(C)C)s1)c1ccc(C)cc1Cl.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine?
The InChIKey is QSNTYRNVOXHCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNS/c1-6-20-17(13-8-7-12(2)11-14(13)19)15-9-10-16(21-15)18(3,4)5/h7-11,17,20H,6H2,1-5H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine?
N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine has a molecular weight of 321.92 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106861143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).