N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride

C13H20Cl3N — CID 115607511

IUPACN-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)CNCCc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C13H19Cl2N.ClH/c1-13(2,3)9-16-5-4-10-6-11(14)8-12(15)7-10;/h6-8,16H,4-5,9H2,1-3H3;1H
InChIKeyMMLOPXQDJUWUIU-UHFFFAOYSA-N
MW296.67 g/mol
LogP4.59
Rot. Bonds4

About N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride

N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 115607511) has the molecular formula C13H20Cl3N and a molecular weight of 296.67 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID115607511
Molecular FormulaC13H20Cl3N
Molecular Weight296.67 g/mol
Exact Mass295.07
IUPAC NameN-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)CNCCc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C13H19Cl2N.ClH/c1-13(2,3)9-16-5-4-10-6-11(14)8-12(15)7-10;/h6-8,16H,4-5,9H2,1-3H3;1H
InChIKeyMMLOPXQDJUWUIU-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 54.59
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-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
2-(3,5-dichlorophenyl)ethylhydrazine
CID 53402672
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110964836
3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414344
2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
CID 63425253
N-[(3,5-dichlorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551707
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
5-[2-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113242821

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride (CID 115607511) is N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)CNCCc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is MMLOPXQDJUWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N.ClH/c1-13(2,3)9-16-5-4-10-6-11(14)8-12(15)7-10;/h6-8,16H,4-5,9H2,1-3H3;1H.
What are the key properties of N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride?
N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 296.67 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)ethyl]-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 115607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).