2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol

C13H19Cl2NO — CID 82313293

IUPAC2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESCCCCNC(C)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-4-7-16-9(2)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3
InChIKeyOWBWJOTTZZFZTQ-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.81
Rot. Bonds6

About 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol

2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 82313293) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
PubChem CID82313293
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESCCCCNC(C)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-3-4-7-16-9(2)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3
InChIKeyOWBWJOTTZZFZTQ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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

(1R,2S)-2-(butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 70902725
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
(2S)-2-(decylamino)-2-(2,4-dichlorophenyl)ethanol
CID 151807018
2-(tert-butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313291
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100503
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 67328064
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
CID 114281101
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol (CID 82313293) is 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol is CCCCNC(C)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is OWBWJOTTZZFZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-4-7-16-9(2)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3.
What are the key properties of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol?
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 82313293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).