4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol

C19H31NO — CID 103965620

IUPAC4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C19H31NO/c1-13-7-8-17(21)16(9-13)14(2)20-15-10-18(3,4)12-19(5,6)11-15/h7-9,14-15,20-21H,10-12H2,1-6H3
InChIKeyPUQSZOKAXHERQQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.96
Rot. Bonds3

About 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol

4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol (PubChem CID 103965620) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
PubChem CID103965620
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C19H31NO/c1-13-7-8-17(21)16(9-13)14(2)20-15-10-18(3,4)12-19(5,6)11-15/h7-9,14-15,20-21H,10-12H2,1-6H3
InChIKeyPUQSZOKAXHERQQ-UHFFFAOYSA-N
XLogP4.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998779
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
2-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-4-methylphenol
CID 43615113
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
CID 62303911
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 61210661
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol (CID 103965620) is 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)NC2CC(C)(C)CC(C)(C)C2)c1.
What is the InChIKey of 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol?
The InChIKey is PUQSZOKAXHERQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-7-8-17(21)16(9-13)14(2)20-15-10-18(3,4)12-19(5,6)11-15/h7-9,14-15,20-21H,10-12H2,1-6H3.
What are the key properties of 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol?
4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol has a molecular weight of 289.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 103965620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).