2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol

C13H19Cl2NO — CID 62775164

IUPAC2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-9(2)7-16-8-13(3,17)11-6-10(14)4-5-12(11)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyPNQLDTJVQVYCDH-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.45
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol

2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol (PubChem CID 62775164) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
PubChem CID62775164
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-9(2)7-16-8-13(3,17)11-6-10(14)4-5-12(11)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyPNQLDTJVQVYCDH-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63517804
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002672
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
CID 62787833
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol (CID 62775164) is 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(C)(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol?
The InChIKey is PNQLDTJVQVYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-9(2)7-16-8-13(3,17)11-6-10(14)4-5-12(11)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol?
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol has a molecular weight of 276.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 62775164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).