4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol

C17H27NO — CID 82985965

IUPAC4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-12-5-8-15(9-6-12)18(4)14(3)16-11-13(2)7-10-17(16)19/h7,10-12,14-15,19H,5-6,8-9H2,1-4H3
InChIKeyJFWGRASTYHRUMP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.27
Rot. Bonds3

About 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol

4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol (PubChem CID 82985965) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
PubChem CID82985965
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-12-5-8-15(9-6-12)18(4)14(3)16-11-13(2)7-10-17(16)19/h7,10-12,14-15,19H,5-6,8-9H2,1-4H3
InChIKeyJFWGRASTYHRUMP-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
CID 65058314
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane
CID 160574395
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol (CID 82985965) is 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(C)C2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
The InChIKey is JFWGRASTYHRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-5-8-15(9-6-12)18(4)14(3)16-11-13(2)7-10-17(16)19/h7,10-12,14-15,19H,5-6,8-9H2,1-4H3.
What are the key properties of 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 82985965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).