1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol

C13H19Cl2NO — CID 66039856

IUPAC1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-6-16-9-13(2,17)8-10-7-11(14)4-5-12(10)15/h4-5,7,16-17H,3,6,8-9H2,1-2H3
InChIKeyIBHVWMFGFKNJEI-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.29
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol

1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol (PubChem CID 66039856) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
PubChem CID66039856
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-6-16-9-13(2,17)8-10-7-11(14)4-5-12(10)15/h4-5,7,16-17H,3,6,8-9H2,1-2H3
InChIKeyIBHVWMFGFKNJEI-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.29
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

2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
CID 79008245
2-[(2,5-dichlorophenyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640703
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid
CID 65316987
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
1-(2-amino-3-pyridinyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039863
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol (CID 66039856) is 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol?
The InChIKey is IBHVWMFGFKNJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-6-16-9-13(2,17)8-10-7-11(14)4-5-12(10)15/h4-5,7,16-17H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol?
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol has a molecular weight of 276.21 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66039856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).