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

C13H17Cl2NO — CID 82974965

IUPAC2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
SMILESCN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1
InChIInChI=1S/C13H17Cl2NO/c1-16(11-4-2-3-5-11)8-9-6-10(14)7-12(15)13(9)17/h6-7,11,17H,2-5,8H2,1H3
InChIKeyGZGHAAHDDPCBIR-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.07
Rot. Bonds3

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

2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol (PubChem CID 82974965) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
PubChem CID82974965
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
SMILESCN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1
InChIInChI=1S/C13H17Cl2NO/c1-16(11-4-2-3-5-11)8-9-6-10(14)7-12(15)13(9)17/h6-7,11,17H,2-5,8H2,1H3
InChIKeyGZGHAAHDDPCBIR-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.07
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-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82974899
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 113471328
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2-[[(4-aminocyclohexyl)-methylamino]methyl]-4-chlorophenol
CID 79114977
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol (CID 82974965) is 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol is CN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1.
What is the InChIKey of 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol?
The InChIKey is GZGHAAHDDPCBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-16(11-4-2-3-5-11)8-9-6-10(14)7-12(15)13(9)17/h6-7,11,17H,2-5,8H2,1H3.
What are the key properties of 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol?
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol has a molecular weight of 274.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82974965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).