2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol

C15H21Cl2NO2 — CID 63934128

IUPAC2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCCC(O)(CNCc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C15H21Cl2NO2/c1-10-3-2-4-15(20,7-10)9-18-8-11-5-12(16)6-13(17)14(11)19/h5-6,10,18-20H,2-4,7-9H2,1H3
InChIKeyTWBFVOANIPVFNL-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.73
Rot. Bonds4

About 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol

2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol (PubChem CID 63934128) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol
PubChem CID63934128
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol
SMILESCC1CCCC(O)(CNCc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C15H21Cl2NO2/c1-10-3-2-4-15(20,7-10)9-18-8-11-5-12(16)6-13(17)14(11)19/h5-6,10,18-20H,2-4,7-9H2,1H3
InChIKeyTWBFVOANIPVFNL-UHFFFAOYSA-N
XLogP3.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.73
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

1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79861227
2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743527
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol (CID 63934128) is 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol is CC1CCCC(O)(CNCc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is TWBFVOANIPVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-10-3-2-4-15(20,7-10)9-18-8-11-5-12(16)6-13(17)14(11)19/h5-6,10,18-20H,2-4,7-9H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol?
2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 318.24 g/mol, XLogP of 3.73, 4 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-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 63934128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).