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

C16H25NO2 — CID 63994863

IUPAC4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2CCC(C)CC2C)ccc1O
InChIInChI=1S/C16H25NO2/c1-11-4-6-14(12(2)8-11)17-10-13-5-7-15(18)16(9-13)19-3/h5,7,9,11-12,14,17-18H,4,6,8,10H2,1-3H3
InChIKeyPDPBXKQKLVWPEW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds4

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

4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol (PubChem CID 63994863) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
PubChem CID63994863
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2CCC(C)CC2C)ccc1O
InChIInChI=1S/C16H25NO2/c1-11-4-6-14(12(2)8-11)17-10-13-5-7-15(18)16(9-13)19-3/h5,7,9,11-12,14,17-18H,4,6,8,10H2,1-3H3
InChIKeyPDPBXKQKLVWPEW-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994874
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950
4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 104663878
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol (CID 63994863) is 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol is COc1cc(CNC2CCC(C)CC2C)ccc1O.
What is the InChIKey of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol?
The InChIKey is PDPBXKQKLVWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-4-6-14(12(2)8-11)17-10-13-5-7-15(18)16(9-13)19-3/h5,7,9,11-12,14,17-18H,4,6,8,10H2,1-3H3.
What are the key properties of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol?
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 63994863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).