2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol

C11H15Cl2NO2 — CID 43207158

IUPAC2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
SMILESCCC(CO)NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H15Cl2NO2/c1-2-9(6-15)14-5-7-3-8(12)4-10(13)11(7)16/h3-4,9,14-16H,2,5-6H2,1H3
InChIKeyNNWCYRGULSEIEY-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.56
Rot. Bonds5

About 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol

2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol (PubChem CID 43207158) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
PubChem CID43207158
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
SMILESCCC(CO)NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H15Cl2NO2/c1-2-9(6-15)14-5-7-3-8(12)4-10(13)11(7)16/h3-4,9,14-16H,2,5-6H2,1H3
InChIKeyNNWCYRGULSEIEY-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449211
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]pentanenitrile
CID 55101793
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
CID 29225195
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2,4-dichloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 43674065
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
CID 63478365
2-[[1-(4-bromophenyl)propylamino]methyl]-4,6-dichlorophenol
CID 43692342
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol (CID 43207158) is 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol is CCC(CO)NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol?
The InChIKey is NNWCYRGULSEIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-2-9(6-15)14-5-7-3-8(12)4-10(13)11(7)16/h3-4,9,14-16H,2,5-6H2,1H3.
What are the key properties of 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol?
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol has a molecular weight of 264.15 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43207158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).