4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol

C16H24ClNO2 — CID 104663878

IUPAC4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNC2CCC(C)CC2C)c1O
InChIInChI=1S/C16H24ClNO2/c1-10-4-5-14(11(2)6-10)18-9-12-7-13(17)8-15(20-3)16(12)19/h7-8,10-11,14,18-19H,4-6,9H2,1-3H3
InChIKeyQKRSPZCNGBGPLG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol

4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol (PubChem CID 104663878) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
PubChem CID104663878
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNC2CCC(C)CC2C)c1O
InChIInChI=1S/C16H24ClNO2/c1-10-4-5-14(11(2)6-10)18-9-12-7-13(17)8-15(20-3)16(12)19/h7-8,10-11,14,18-19H,4-6,9H2,1-3H3
InChIKeyQKRSPZCNGBGPLG-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]cycloheptan-1-ol
CID 104664000
4-chloro-2-methoxy-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 104646371
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
tert-butyl N-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237605
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 104646165
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64774100
4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
CID 104640025
4-chloro-2-methoxy-6-[(2-methylbut-3-yn-2-ylamino)methyl]phenol
CID 113438659
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol (CID 104663878) is 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol is COc1cc(Cl)cc(CNC2CCC(C)CC2C)c1O.
What is the InChIKey of 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol?
The InChIKey is QKRSPZCNGBGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10-4-5-14(11(2)6-10)18-9-12-7-13(17)8-15(20-3)16(12)19/h7-8,10-11,14,18-19H,4-6,9H2,1-3H3.
What are the key properties of 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol?
4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol has a molecular weight of 297.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 104663878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).