2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol

C12H17Cl2NO — CID 62693693

IUPAC2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
SMILESCCC(C)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO/c1-3-8(2)6-15-7-9-4-10(13)5-11(14)12(9)16/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyIGIIRBWJGHVOQY-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.83
Rot. Bonds5

About 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol

2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol (PubChem CID 62693693) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
PubChem CID62693693
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
SMILESCCC(C)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO/c1-3-8(2)6-15-7-9-4-10(13)5-11(14)12(9)16/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyIGIIRBWJGHVOQY-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
2,4-dichloro-6-(3-methylpentyl)phenol
CID 143655603
2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916433
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
2,4-dichloro-6-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449211
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474
2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
CID 115702594
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol (CID 62693693) is 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol is CCC(C)CNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol?
The InChIKey is IGIIRBWJGHVOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-8(2)6-15-7-9-4-10(13)5-11(14)12(9)16/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol?
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol has a molecular weight of 262.18 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol is sourced from PubChem (CID 62693693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).