2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol

C19H25NO — CID 115904447

IUPAC2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
SMILESCc1cccc(CNC(C)c2ccc(C(C)C)cc2)c1O
InChIInChI=1S/C19H25NO/c1-13(2)16-8-10-17(11-9-16)15(4)20-12-18-7-5-6-14(3)19(18)21/h5-11,13,15,20-21H,12H2,1-4H3
InChIKeyCVGCOABSMRSODY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.67
Rot. Bonds5

About 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol

2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol (PubChem CID 115904447) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
PubChem CID115904447
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
SMILESCc1cccc(CNC(C)c2ccc(C(C)C)cc2)c1O
InChIInChI=1S/C19H25NO/c1-13(2)16-8-10-17(11-9-16)15(4)20-12-18-7-5-6-14(3)19(18)21/h5-11,13,15,20-21H,12H2,1-4H3
InChIKeyCVGCOABSMRSODY-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.67
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-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
2-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-methylphenol
CID 115904662
2-bromo-6-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81350041
2-methyl-6-[(5-methylhexan-2-ylamino)methyl]phenol
CID 112553862
3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
CID 112554882
2-[(1-phenylethylamino)methyl]phenol
CID 3669487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol (CID 115904447) is 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol is Cc1cccc(CNC(C)c2ccc(C(C)C)cc2)c1O.
What is the InChIKey of 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
The InChIKey is CVGCOABSMRSODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)16-8-10-17(11-9-16)15(4)20-12-18-7-5-6-14(3)19(18)21/h5-11,13,15,20-21H,12H2,1-4H3.
What are the key properties of 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 115904447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).