2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol

C17H25Cl2NO — CID 103965532

IUPAC2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)C1
InChIInChI=1S/C17H25Cl2NO/c1-16(2)7-13(8-17(3,4)10-16)20-9-11-5-12(18)6-14(19)15(11)21/h5-6,13,20-21H,7-10H2,1-4H3
InChIKeyFQJDUSFPZJBEBW-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.39
Rot. Bonds3

About 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol

2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol (PubChem CID 103965532) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
PubChem CID103965532
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)C1
InChIInChI=1S/C17H25Cl2NO/c1-16(2)7-13(8-17(3,4)10-16)20-9-11-5-12(18)6-14(19)15(11)21/h5-6,13,20-21H,7-10H2,1-4H3
InChIKeyFQJDUSFPZJBEBW-UHFFFAOYSA-N
XLogP5.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol with MolForge

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Related Compounds

2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588001
3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 103965652
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635121
N-[(4-chloro-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114842619
2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79861227
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol (CID 103965532) is 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol is CC1(C)CC(NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)C1.
What is the InChIKey of 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The InChIKey is FQJDUSFPZJBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-16(2)7-13(8-17(3,4)10-16)20-9-11-5-12(18)6-14(19)15(11)21/h5-6,13,20-21H,7-10H2,1-4H3.
What are the key properties of 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol has a molecular weight of 330.30 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 103965532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).