N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride

C15H20ClNS — CID 3062032

IUPACN-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(C)cc1)c1cccs1.Cl
InChIInChI=1S/C15H19NS.ClH/c1-3-16-14(15-5-4-10-17-15)11-13-8-6-12(2)7-9-13;/h4-10,14,16H,3,11H2,1-2H3;1H
InChIKeyNRCPQTCMMDADQA-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.37
Rot. Bonds5

About N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride

N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062032) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062032
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC NameN-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(C)cc1)c1cccs1.Cl
InChIInChI=1S/C15H19NS.ClH/c1-3-16-14(15-5-4-10-17-15)11-13-8-6-12(2)7-9-13;/h4-10,14,16H,3,11H2,1-2H3;1H
InChIKeyNRCPQTCMMDADQA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062032) is N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride is CCNC(Cc1ccc(C)cc1)c1cccs1.Cl.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is NRCPQTCMMDADQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS.ClH/c1-3-16-14(15-5-4-10-17-15)11-13-8-6-12(2)7-9-13;/h4-10,14,16H,3,11H2,1-2H3;1H.
What are the key properties of N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 281.85 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).