4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol

C17H27NO — CID 64742198

IUPAC4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
SMILESCCC1CCCC(NCc2cc(C)c(O)c(C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-14-6-5-7-16(10-14)18-11-15-8-12(2)17(19)13(3)9-15/h8-9,14,16,18-19H,4-7,10-11H2,1-3H3
InChIKeyQNQWLKZSBAHBMV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds4

About 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol

4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 64742198) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
PubChem CID64742198
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
SMILESCCC1CCCC(NCc2cc(C)c(O)c(C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-14-6-5-7-16(10-14)18-11-15-8-12(2)17(19)13(3)9-15/h8-9,14,16,18-19H,4-7,10-11H2,1-3H3
InChIKeyQNQWLKZSBAHBMV-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 55062333
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
4-bromo-2-[[(3-ethylcyclohexyl)amino]methyl]phenol
CID 107737894
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64743162
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
CID 114480409
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzonitrile
CID 114480408
2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 64742005
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol (CID 64742198) is 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol is CCC1CCCC(NCc2cc(C)c(O)c(C)c2)C1.
What is the InChIKey of 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is QNQWLKZSBAHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-6-5-7-16(10-14)18-11-15-8-12(2)17(19)13(3)9-15/h8-9,14,16,18-19H,4-7,10-11H2,1-3H3.
What are the key properties of 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol?
4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 64742198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).