2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol

C18H29NO — CID 115951249

IUPAC2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCc1cccc(CNC2CC(C)CCC2C(C)C)c1O
InChIInChI=1S/C18H29NO/c1-12(2)16-9-8-13(3)10-17(16)19-11-15-7-5-6-14(4)18(15)20/h5-7,12-13,16-17,19-20H,8-11H2,1-4H3
InChIKeyLIFJEEKXQPVFAJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds4

About 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol

2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol (PubChem CID 115951249) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
PubChem CID115951249
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCc1cccc(CNC2CC(C)CCC2C(C)C)c1O
InChIInChI=1S/C18H29NO/c1-12(2)16-9-8-13(3)10-17(16)19-11-15-7-5-6-14(4)18(15)20/h5-7,12-13,16-17,19-20H,8-11H2,1-4H3
InChIKeyLIFJEEKXQPVFAJ-UHFFFAOYSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
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

2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951251
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 43710025
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol (CID 115951249) is 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol is Cc1cccc(CNC2CC(C)CCC2C(C)C)c1O.
What is the InChIKey of 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The InChIKey is LIFJEEKXQPVFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12(2)16-9-8-13(3)10-17(16)19-11-15-7-5-6-14(4)18(15)20/h5-7,12-13,16-17,19-20H,8-11H2,1-4H3.
What are the key properties of 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 115951249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).