3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol

C14H22ClNO — CID 65031721

IUPAC3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
SMILESCCCC(NCC(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-4-14(16-9-11(2)10-17)12-5-7-13(15)8-6-12/h5-8,11,14,16-17H,3-4,9-10H2,1-2H3
InChIKeyBANFLNXYHXEJTF-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds7

About 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol

3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol (PubChem CID 65031721) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
PubChem CID65031721
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
SMILESCCCC(NCC(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-4-14(16-9-11(2)10-17)12-5-7-13(15)8-6-12/h5-8,11,14,16-17H,3-4,9-10H2,1-2H3
InChIKeyBANFLNXYHXEJTF-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
CID 106348706
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol
CID 103965824
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol (CID 65031721) is 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol is CCCC(NCC(C)CO)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol?
The InChIKey is BANFLNXYHXEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-4-14(16-9-11(2)10-17)12-5-7-13(15)8-6-12/h5-8,11,14,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol?
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 65031721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).