5-[1-(4-chlorophenyl)propylamino]pentan-2-ol

C14H22ClNO — CID 107270366

IUPAC5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
SMILESCCC(NCCCC(C)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-14(16-10-4-5-11(2)17)12-6-8-13(15)9-7-12/h6-9,11,14,16-17H,3-5,10H2,1-2H3
InChIKeyIFFQCYOZKIVEJH-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.54
Rot. Bonds7

About 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol

5-[1-(4-chlorophenyl)propylamino]pentan-2-ol (PubChem CID 107270366) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
PubChem CID107270366
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
SMILESCCC(NCCCC(C)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-14(16-10-4-5-11(2)17)12-6-8-13(15)9-7-12/h6-9,11,14,16-17H,3-5,10H2,1-2H3
InChIKeyIFFQCYOZKIVEJH-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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

5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
N-[1-(4-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040410
1-(4-chlorophenyl)-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 113246417
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
N-[1-(4-chlorophenyl)propyl]pent-3-yn-1-amine
CID 104758049
(4R)-4-(4-chlorophenyl)-2-methyl-6-(1-phenylpropylamino)hexan-3-one
CID 66767129
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol?
The IUPAC name of 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol (CID 107270366) is 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol.
What is the SMILES notation for 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol?
The canonical SMILES for 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol is CCC(NCCCC(C)O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol?
The InChIKey is IFFQCYOZKIVEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-14(16-10-4-5-11(2)17)12-6-8-13(15)9-7-12/h6-9,11,14,16-17H,3-5,10H2,1-2H3.
What are the key properties of 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol?
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol has a molecular weight of 255.79 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)propylamino]pentan-2-ol is sourced from PubChem (CID 107270366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).