4-(3-chloroanilino)pentan-1-ol

C11H16ClNO — CID 115975852

IUPAC4-(3-chloroanilino)pentan-1-ol
SMILESCC(CCCO)Nc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-9(4-3-7-14)13-11-6-2-5-10(12)8-11/h2,5-6,8-9,13-14H,3-4,7H2,1H3
InChIKeyWSZQIVZYFHOZCF-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.91
Rot. Bonds5

About 4-(3-chloroanilino)pentan-1-ol

4-(3-chloroanilino)pentan-1-ol (PubChem CID 115975852) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(3-chloroanilino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-chloroanilino)pentan-1-ol
PubChem CID115975852
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-(3-chloroanilino)pentan-1-ol
SMILESCC(CCCO)Nc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-9(4-3-7-14)13-11-6-2-5-10(12)8-11/h2,5-6,8-9,13-14H,3-4,7H2,1H3
InChIKeyWSZQIVZYFHOZCF-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloroanilino)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

(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
3-N-(3-chlorophenyl)butane-1,3-diamine
CID 117027031
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
4-[3-(methoxymethyl)anilino]pentan-1-ol
CID 115975845
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
1-(3-chloroanilino)butan-1-ol
CID 143119742
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
3-(heptan-2-ylamino)phenol
CID 43207062
4-(4-ethyl-3-fluoroanilino)pentan-1-ol
CID 115976008
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
4-(5-hydroxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279649

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)pentan-1-ol?
The IUPAC name of 4-(3-chloroanilino)pentan-1-ol (CID 115975852) is 4-(3-chloroanilino)pentan-1-ol.
What is the SMILES notation for 4-(3-chloroanilino)pentan-1-ol?
The canonical SMILES for 4-(3-chloroanilino)pentan-1-ol is CC(CCCO)Nc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chloroanilino)pentan-1-ol?
The InChIKey is WSZQIVZYFHOZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(4-3-7-14)13-11-6-2-5-10(12)8-11/h2,5-6,8-9,13-14H,3-4,7H2,1H3.
What are the key properties of 4-(3-chloroanilino)pentan-1-ol?
4-(3-chloroanilino)pentan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)pentan-1-ol is sourced from PubChem (CID 115975852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).