2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride

C10H15Cl2N — CID 69026677

IUPAC2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
SMILESCCNCCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-2-12-8-7-9-3-5-10(11)6-4-9;/h3-6,12H,2,7-8H2,1H3;1H
InChIKeySUEQVJPEVJDAFN-UHFFFAOYSA-N
MW220.14 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride

2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride (PubChem CID 69026677) has the molecular formula C10H15Cl2N and a molecular weight of 220.14 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
PubChem CID69026677
Molecular FormulaC10H15Cl2N
Molecular Weight220.14 g/mol
Exact Mass219.06
IUPAC Name2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
SMILESCCNCCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-2-12-8-7-9-3-5-10(11)6-4-9;/h3-6,12H,2,7-8H2,1H3;1H
InChIKeySUEQVJPEVJDAFN-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
CID 60687940
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595
N,N'-bis[2-(4-chlorophenyl)ethyl]hexane-1,6-diamine;dihydrobromide
CID 3028564
S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine
CID 143713832
N'-[2-(4-chlorophenyl)ethyl]butane-1,4-diamine
CID 83961338
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
2-chloro-4-[2-(ethylamino)ethyl]phenol
CID 64868775
2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 60687979
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride (CID 69026677) is 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride is CCNCCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride?
The InChIKey is SUEQVJPEVJDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN.ClH/c1-2-12-8-7-9-3-5-10(11)6-4-9;/h3-6,12H,2,7-8H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride?
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride has a molecular weight of 220.14 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 69026677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).