2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol

C10H13Cl2NO2 — CID 168640691

IUPAC2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
SMILESCc1ccc(NCC(O)CCl)c(Cl)c1O
InChIInChI=1S/C10H13Cl2NO2/c1-6-2-3-8(9(12)10(6)15)13-5-7(14)4-11/h2-3,7,13-15H,4-5H2,1H3
InChIKeyJGVIISRZCFXTJA-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol

2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol (PubChem CID 168640691) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol.

Molecular Properties

Compound Name2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
PubChem CID168640691
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
SMILESCc1ccc(NCC(O)CCl)c(Cl)c1O
InChIInChI=1S/C10H13Cl2NO2/c1-6-2-3-8(9(12)10(6)15)13-5-7(14)4-11/h2-3,7,13-15H,4-5H2,1H3
InChIKeyJGVIISRZCFXTJA-UHFFFAOYSA-N
XLogP2.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-chloro-3-methylanilino)-3-chloropropan-2-ol
CID 168638658
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
CID 168640862
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636495
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-(4-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168636288
1-chloro-3-(2-chloro-3-methyl-5-methylsulfonylanilino)propan-2-ol
CID 168638776
1-chloro-3-[2-(3,4-dimethylphenyl)anilino]propan-2-ol
CID 168639685
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
1-chloro-3-(2,4-dimethyl-5-methylsulfonylanilino)propan-2-ol
CID 168637485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol?
The IUPAC name of 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol (CID 168640691) is 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol.
What is the SMILES notation for 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol?
The canonical SMILES for 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol is Cc1ccc(NCC(O)CCl)c(Cl)c1O.
What is the InChIKey of 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol?
The InChIKey is JGVIISRZCFXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-6-2-3-8(9(12)10(6)15)13-5-7(14)4-11/h2-3,7,13-15H,4-5H2,1H3.
What are the key properties of 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol?
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol has a molecular weight of 250.12 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol is sourced from PubChem (CID 168640691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).