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

C14H22ClNO — CID 111496341

IUPAC5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
SMILESCC(C)(NCCCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-14(2,16-10-4-3-5-11-17)12-6-8-13(15)9-7-12/h6-9,16-17H,3-5,10-11H2,1-2H3
InChIKeyTZEIMVKVYLBCOE-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.33
Rot. Bonds7

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

5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol (PubChem CID 111496341) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
PubChem CID111496341
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
SMILESCC(C)(NCCCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-14(2,16-10-4-3-5-11-17)12-6-8-13(15)9-7-12/h6-9,16-17H,3-5,10-11H2,1-2H3
InChIKeyTZEIMVKVYLBCOE-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
2-(4-chlorophenyl)-N-[3-(5-methylimidazol-1-yl)propyl]propan-2-amine
CID 19429413
12-(tert-butylamino)dodecan-1-ol
CID 159274393
N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
N-[2-(3,4-dichlorophenyl)propan-2-yl]dodecan-1-amine;hydrochloride
CID 173462938
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108
4-chloro-N-(5-hydroxy-2-methylpentan-2-yl)benzamide
CID 136573165
N'-tert-butyl-N-(4-chlorophenyl)butane-1,4-diamine
CID 10879673
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
3-[2-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propane-1-sulfonic acid
CID 58691944

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol?
The IUPAC name of 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol (CID 111496341) is 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol is CC(C)(NCCCCCO)c1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol?
The InChIKey is TZEIMVKVYLBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-14(2,16-10-4-3-5-11-17)12-6-8-13(15)9-7-12/h6-9,16-17H,3-5,10-11H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol?
5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol is sourced from PubChem (CID 111496341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).