1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine

C15H18ClNS — CID 63195285

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-3-17-15(10-13-5-4-8-18-13)12-7-6-11(2)14(16)9-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyBYSXJWDBHUFJFC-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.60
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine

1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 63195285) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID63195285
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClNS/c1-3-17-15(10-13-5-4-8-18-13)12-7-6-11(2)14(16)9-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyBYSXJWDBHUFJFC-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
[1-(3-chloro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308904
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 63195285) is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is BYSXJWDBHUFJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-3-17-15(10-13-5-4-8-18-13)12-7-6-11(2)14(16)9-12/h4-9,15,17H,3,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63195285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).