1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol

C10H14ClNO2 — CID 168636282

IUPAC1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
SMILESOCc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C10H14ClNO2/c11-5-10(14)6-12-9-3-1-2-8(4-9)7-13/h1-4,10,12-14H,5-7H2
InChIKeyQJRCXFPAXYKFOG-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.19
Rot. Bonds5

About 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol

1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol (PubChem CID 168636282) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
PubChem CID168636282
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
SMILESOCc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C10H14ClNO2/c11-5-10(14)6-12-9-3-1-2-8(4-9)7-13/h1-4,10,12-14H,5-7H2
InChIKeyQJRCXFPAXYKFOG-UHFFFAOYSA-N
XLogP1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-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

[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
CID 168636923
[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
1-chloro-3-(3-ethynylanilino)propan-2-ol
CID 168636271
1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
CID 168637298
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-chloropropan-2-ol
CID 168638839
N-benzyl-3-[(3-chloro-2-hydroxypropyl)amino]benzamide
CID 168639394

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol (CID 168636282) is 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol is OCc1cccc(NCC(O)CCl)c1.
What is the InChIKey of 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol?
The InChIKey is QJRCXFPAXYKFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c11-5-10(14)6-12-9-3-1-2-8(4-9)7-13/h1-4,10,12-14H,5-7H2.
What are the key properties of 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol?
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol is sourced from PubChem (CID 168636282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).