1-[1-(4-chlorophenyl)butylamino]pentan-2-ol

C15H24ClNO — CID 113261482

IUPAC1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
SMILESCCCC(O)CNC(CCC)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-5-14(18)11-17-15(6-4-2)12-7-9-13(16)10-8-12/h7-10,14-15,17-18H,3-6,11H2,1-2H3
InChIKeyOBAMARBSKAYTIM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.93
Rot. Bonds8

About 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol

1-[1-(4-chlorophenyl)butylamino]pentan-2-ol (PubChem CID 113261482) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
PubChem CID113261482
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
SMILESCCCC(O)CNC(CCC)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-5-14(18)11-17-15(6-4-2)12-7-9-13(16)10-8-12/h7-10,14-15,17-18H,3-6,11H2,1-2H3
InChIKeyOBAMARBSKAYTIM-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
2-[1-(4-chlorophenyl)butylamino]-N,N-diethylacetamide
CID 115712612
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
CID 103901960
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309
1-(4-chlorophenyl)-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63823108

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol (CID 113261482) is 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol is CCCC(O)CNC(CCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol?
The InChIKey is OBAMARBSKAYTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-5-14(18)11-17-15(6-4-2)12-7-9-13(16)10-8-12/h7-10,14-15,17-18H,3-6,11H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol?
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol has a molecular weight of 269.82 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)butylamino]pentan-2-ol is sourced from PubChem (CID 113261482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).