4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol

C16H27NO — CID 82985809

IUPAC4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(CC(C)C)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-11(2)10-17(12(3)4)14(6)15-9-13(5)7-8-16(15)18/h7-9,11-12,14,18H,10H2,1-6H3
InChIKeyVIOPOMIBMCRPEI-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.13
Rot. Bonds5

About 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol

4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol (PubChem CID 82985809) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol
PubChem CID82985809
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(CC(C)C)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-11(2)10-17(12(3)4)14(6)15-9-13(5)7-8-16(15)18/h7-9,11-12,14,18H,10H2,1-6H3
InChIKeyVIOPOMIBMCRPEI-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.13
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

4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400828
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093
4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
CID 82983452
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
CID 82976841
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958657
4-methyl-2-[(1R)-1,2,2,3,3-pentadeuterio-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol
CID 25213778
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528
4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
CID 82979913
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol (CID 82985809) is 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(CC(C)C)C(C)C)c1.
What is the InChIKey of 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol?
The InChIKey is VIOPOMIBMCRPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)10-17(12(3)4)14(6)15-9-13(5)7-8-16(15)18/h7-9,11-12,14,18H,10H2,1-6H3.
What are the key properties of 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol?
4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol has a molecular weight of 249.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 82985809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).