N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride

C13H15Cl2NS — CID 6454011

IUPACN-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCCc1cccs1
InChIInChI=1S/C13H14ClNS.ClH/c14-13-6-2-1-4-11(13)10-15-8-7-12-5-3-9-16-12;/h1-6,9,15H,7-8,10H2;1H
InChIKeyQDHAJZRYUIMPDU-UHFFFAOYSA-N
MW288.24 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride

N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride (PubChem CID 6454011) has the molecular formula C13H15Cl2NS and a molecular weight of 288.24 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride
PubChem CID6454011
Molecular FormulaC13H15Cl2NS
Molecular Weight288.24 g/mol
Exact Mass287.03
IUPAC NameN-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCCc1cccs1
InChIInChI=1S/C13H14ClNS.ClH/c14-13-6-2-1-4-11(13)10-15-8-7-12-5-3-9-16-12;/h1-6,9,15H,7-8,10H2;1H
InChIKeyQDHAJZRYUIMPDU-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride (CID 6454011) is N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride is Cl.Clc1ccccc1CNCCc1cccs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is QDHAJZRYUIMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS.ClH/c14-13-6-2-1-4-11(13)10-15-8-7-12-5-3-9-16-12;/h1-6,9,15H,7-8,10H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride?
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 288.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 6454011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).