4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol

C10H13Cl2NO2 — CID 168640862

IUPAC4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
SMILESCc1cc(Cl)c(NCC(O)CCl)cc1O
InChIInChI=1S/C10H13Cl2NO2/c1-6-2-8(12)9(3-10(6)15)13-5-7(14)4-11/h2-3,7,13-15H,4-5H2,1H3
InChIKeySXBPJXFRMIXTOU-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol

4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol (PubChem CID 168640862) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol.

Molecular Properties

Compound Name4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
PubChem CID168640862
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
SMILESCc1cc(Cl)c(NCC(O)CCl)cc1O
InChIInChI=1S/C10H13Cl2NO2/c1-6-2-8(12)9(3-10(6)15)13-5-7(14)4-11/h2-3,7,13-15H,4-5H2,1H3
InChIKeySXBPJXFRMIXTOU-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-(2,5-dichloro-4-methylanilino)butan-2-ol
CID 104726754
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
CID 168640691
2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636495
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
1-(2-chloro-4-fluoro-5-methylanilino)-3-(dimethylamino)propan-2-ol
CID 112734648
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
N,N-dibutyl-2,5-dichloro-4-[(3-chloro-2-hydroxypropyl)amino]benzenesulfonamide
CID 168639504
1-chloro-3-(2-chloro-3-methyl-5-methylsulfonylanilino)propan-2-ol
CID 168638776
5-[(3-chloro-2-hydroxypropyl)amino]-2,4-dimethylbenzonitrile
CID 168639832
1-chloro-3-(2,4-dimethyl-5-methylsulfonylanilino)propan-2-ol
CID 168637485
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
CID 168640962
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol?
The IUPAC name of 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol (CID 168640862) is 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol.
What is the SMILES notation for 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol?
The canonical SMILES for 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol is Cc1cc(Cl)c(NCC(O)CCl)cc1O.
What is the InChIKey of 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol?
The InChIKey is SXBPJXFRMIXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-6-2-8(12)9(3-10(6)15)13-5-7(14)4-11/h2-3,7,13-15H,4-5H2,1H3.
What are the key properties of 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol?
4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-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 4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol is sourced from PubChem (CID 168640862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).