2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol

C13H19Cl2NO — CID 82986125

IUPAC2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
SMILESCC(C)CCN(C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H19Cl2NO/c1-9(2)4-5-16(3)8-10-6-11(14)7-12(15)13(10)17/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyFCLLQVVOPVFFLD-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.18
Rot. Bonds5

About 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol

2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol (PubChem CID 82986125) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
PubChem CID82986125
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
SMILESCC(C)CCN(C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H19Cl2NO/c1-9(2)4-5-16(3)8-10-6-11(14)7-12(15)13(10)17/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyFCLLQVVOPVFFLD-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
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-methoxypropyl(methyl)amino]methyl]phenol
CID 112754699
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979017
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
2,4-dichloro-6-(3-methylpentyl)phenol
CID 143655603
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
2,4-dichloro-6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986111
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol (CID 82986125) is 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol is CC(C)CCN(C)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol?
The InChIKey is FCLLQVVOPVFFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-9(2)4-5-16(3)8-10-6-11(14)7-12(15)13(10)17/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol?
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol has a molecular weight of 276.21 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol is sourced from PubChem (CID 82986125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).