5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol

C13H19Cl2NO — CID 103859612

IUPAC5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-10(9-17)4-3-7-16-8-11-5-2-6-12(14)13(11)15/h2,5-6,10,16-17H,3-4,7-9H2,1H3
InChIKeyWFURITSJTPJTJF-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.49
Rot. Bonds7

About 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol

5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol (PubChem CID 103859612) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
PubChem CID103859612
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-10(9-17)4-3-7-16-8-11-5-2-6-12(14)13(11)15/h2,5-6,10,16-17H,3-4,7-9H2,1H3
InChIKeyWFURITSJTPJTJF-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206866
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618
5-(1,3-benzodioxol-4-ylmethylamino)-2-methylpentan-1-ol
CID 103859505
5-[(2-chloro-6-nitrophenyl)methylamino]-2-methylpentan-1-ol
CID 106160035
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 106833862
N-(2,6-dichlorophenyl)-2-[(5-hydroxy-4-methylpentyl)amino]acetamide
CID 106160091
3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 115695888
N-[(2,3-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694161
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
5-[(4-chloro-2-nitrophenyl)methylamino]-2-methylpentan-1-ol
CID 106160258

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol (CID 103859612) is 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol is CC(CO)CCCNCc1cccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol?
The InChIKey is WFURITSJTPJTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-10(9-17)4-3-7-16-8-11-5-2-6-12(14)13(11)15/h2,5-6,10,16-17H,3-4,7-9H2,1H3.
What are the key properties of 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol?
5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 103859612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).