1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol

C13H19Cl2NO2 — CID 67328064

IUPAC1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol
SMILESCCCCNC(Oc1cc(Cl)ccc1Cl)C(C)O
InChIInChI=1S/C13H19Cl2NO2/c1-3-4-7-16-13(9(2)17)18-12-8-10(14)5-6-11(12)15/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3
InChIKeyGSPUWLNIFFRLDG-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.47
Rot. Bonds7

About 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol

1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol (PubChem CID 67328064) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol
PubChem CID67328064
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol
SMILESCCCCNC(Oc1cc(Cl)ccc1Cl)C(C)O
InChIInChI=1S/C13H19Cl2NO2/c1-3-4-7-16-13(9(2)17)18-12-8-10(14)5-6-11(12)15/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3
InChIKeyGSPUWLNIFFRLDG-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
CID 63505082
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine;oxalic acid
CID 2934611
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100503
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 115279930

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol (CID 67328064) is 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol is CCCCNC(Oc1cc(Cl)ccc1Cl)C(C)O.
What is the InChIKey of 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol?
The InChIKey is GSPUWLNIFFRLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-3-4-7-16-13(9(2)17)18-12-8-10(14)5-6-11(12)15/h5-6,8-9,13,16-17H,3-4,7H2,1-2H3.
What are the key properties of 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol?
1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 67328064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).