2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride

C9H12Cl3N — CID 90158504

IUPAC2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride
SMILESCNCC(Cl)c1ccccc1Cl.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-12-6-9(11)7-4-2-3-5-8(7)10;/h2-5,9,12H,6H2,1H3;1H
InChIKeyYBBBAANEQRYTCW-UHFFFAOYSA-N
MW240.56 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride

2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride (PubChem CID 90158504) has the molecular formula C9H12Cl3N and a molecular weight of 240.56 g/mol. Its IUPAC name is 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride
PubChem CID90158504
Molecular FormulaC9H12Cl3N
Molecular Weight240.56 g/mol
Exact Mass239.00
IUPAC Name2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride
SMILESCNCC(Cl)c1ccccc1Cl.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-12-6-9(11)7-4-2-3-5-8(7)10;/h2-5,9,12H,6H2,1H3;1H
InChIKeyYBBBAANEQRYTCW-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-chlorophenyl)-N-methylbutan-1-amine
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(1S)-1-(2-chlorophenyl)-N-methylethanamine
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1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
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(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
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2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
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CID 126732807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride (CID 90158504) is 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride is CNCC(Cl)c1ccccc1Cl.Cl.
What is the InChIKey of 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride?
The InChIKey is YBBBAANEQRYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N.ClH/c1-12-6-9(11)7-4-2-3-5-8(7)10;/h2-5,9,12H,6H2,1H3;1H.
What are the key properties of 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride?
2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride has a molecular weight of 240.56 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 90158504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).