2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol

C19H25NO — CID 43103836

IUPAC2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
SMILESCCc1ccc(C(NCc2ccccc2O)C(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-15-9-11-16(12-10-15)19(14(2)3)20-13-17-7-5-6-8-18(17)21/h5-12,14,19-21H,4,13H2,1-3H3
InChIKeyYCOYKPUHMUUIQS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.44
Rot. Bonds6

About 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol

2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol (PubChem CID 43103836) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
PubChem CID43103836
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
SMILESCCc1ccc(C(NCc2ccccc2O)C(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-15-9-11-16(12-10-15)19(14(2)3)20-13-17-7-5-6-8-18(17)21/h5-12,14,19-21H,4,13H2,1-3H3
InChIKeyYCOYKPUHMUUIQS-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.44
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-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231
4-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 8992564
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
CID 43081080
4-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-hydroxychromen-2-one
CID 8992297
4-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]benzene-1,3-diol
CID 43685473
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-hydroxyphenoxy)acetamide
CID 78810754

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol?
The IUPAC name of 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol (CID 43103836) is 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol is CCc1ccc(C(NCc2ccccc2O)C(C)C)cc1.
What is the InChIKey of 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol?
The InChIKey is YCOYKPUHMUUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15-9-11-16(12-10-15)19(14(2)3)20-13-17-7-5-6-8-18(17)21/h5-12,14,19-21H,4,13H2,1-3H3.
What are the key properties of 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol?
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol is sourced from PubChem (CID 43103836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).