2-(4-chloroanilino)-2-propylpentan-1-ol

C14H22ClNO — CID 61049895

IUPAC2-(4-chloroanilino)-2-propylpentan-1-ol
SMILESCCCC(CO)(CCC)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-9-14(11-17,10-4-2)16-13-7-5-12(15)6-8-13/h5-8,16-17H,3-4,9-11H2,1-2H3
InChIKeyLVHCAMMIWWGKDO-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.08
Rot. Bonds7

About 2-(4-chloroanilino)-2-propylpentan-1-ol

2-(4-chloroanilino)-2-propylpentan-1-ol (PubChem CID 61049895) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-propylpentan-1-ol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-propylpentan-1-ol
PubChem CID61049895
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(4-chloroanilino)-2-propylpentan-1-ol
SMILESCCCC(CO)(CCC)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-9-14(11-17,10-4-2)16-13-7-5-12(15)6-8-13/h5-8,16-17H,3-4,9-11H2,1-2H3
InChIKeyLVHCAMMIWWGKDO-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Chlorophenyl)amino]ethanol
CID 587825
2-Propanol, 1-(butylamino)-3-(4-chloro-o-toluidino)-
CID 209590
2-(4-Chlorophenylamino)-2-phenyl ethanol
CID 11379636
(2R)-1-(4-chloro-3-fluoroanilino)-3-methylbutan-2-ol
CID 167196646
(2S)-2-(4-chloro-3-fluoroanilino)propan-1-ol
CID 167196871
[1-(Phenylamino)cyclohexyl]methanol
CID 61046619
1-Butylamino-3-(p-chloroanilino)-2-propanol
CID 3030953
1-[(4-Chloro-2-fluoroanilino)methyl]cyclohexan-1-ol
CID 54954466
1-[(4-Chloro-3-fluoroanilino)methyl]cyclohexan-1-ol
CID 54955685
2-(3-Fluoroanilino)-2-propylpentan-1-ol
CID 61047713
2-Ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol
CID 61047907
2-(4-Chloroanilino)-2-(4-fluorophenyl)propan-1-ol
CID 61048112

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-propylpentan-1-ol?
The IUPAC name of 2-(4-chloroanilino)-2-propylpentan-1-ol (CID 61049895) is 2-(4-chloroanilino)-2-propylpentan-1-ol.
What is the SMILES notation for 2-(4-chloroanilino)-2-propylpentan-1-ol?
The canonical SMILES for 2-(4-chloroanilino)-2-propylpentan-1-ol is CCCC(CO)(CCC)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-propylpentan-1-ol?
The InChIKey is LVHCAMMIWWGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-9-14(11-17,10-4-2)16-13-7-5-12(15)6-8-13/h5-8,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-chloroanilino)-2-propylpentan-1-ol?
2-(4-chloroanilino)-2-propylpentan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-propylpentan-1-ol is sourced from PubChem (CID 61049895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).