5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol

C13H20ClNO2 — CID 107200860

IUPAC5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol
SMILESCN(CCCCCO)c1cccc(Cl)c1CO
InChIInChI=1S/C13H20ClNO2/c1-15(8-3-2-4-9-16)13-7-5-6-12(14)11(13)10-17/h5-7,16-17H,2-4,8-10H2,1H3
InChIKeyHJNBEEMDHPGWPA-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.43
Rot. Bonds7

About 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol

5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol (PubChem CID 107200860) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol
PubChem CID107200860
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol
SMILESCN(CCCCCO)c1cccc(Cl)c1CO
InChIInChI=1S/C13H20ClNO2/c1-15(8-3-2-4-9-16)13-7-5-6-12(14)11(13)10-17/h5-7,16-17H,2-4,8-10H2,1H3
InChIKeyHJNBEEMDHPGWPA-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]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

2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
[2-chloro-6-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 43564416
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240
2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
CID 63059522
[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390
N'-[2-[(tert-butylamino)methyl]-3-chlorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698868
5-(3-fluoro-N-methyl-2-nitroanilino)pentan-1-ol
CID 107201821
5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203413
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol?
The IUPAC name of 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol (CID 107200860) is 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol.
What is the SMILES notation for 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol?
The canonical SMILES for 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol is CN(CCCCCO)c1cccc(Cl)c1CO.
What is the InChIKey of 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol?
The InChIKey is HJNBEEMDHPGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-15(8-3-2-4-9-16)13-7-5-6-12(14)11(13)10-17/h5-7,16-17H,2-4,8-10H2,1H3.
What are the key properties of 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol?
5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-(hydroxymethyl)-N-methylanilino]pentan-1-ol is sourced from PubChem (CID 107200860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).