2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol

C19H25NO — CID 43221263

IUPAC2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
SMILESCCC(NCc1cc(C)c(O)c(C)c1)c1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-5-18(17-8-6-13(2)7-9-17)20-12-16-10-14(3)19(21)15(4)11-16/h6-11,18,20-21H,5,12H2,1-4H3
InChIKeyNMTJDQHOJHNVCP-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.56
Rot. Bonds5

About 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol

2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol (PubChem CID 43221263) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
PubChem CID43221263
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
SMILESCCC(NCc1cc(C)c(O)c(C)c1)c1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-5-18(17-8-6-13(2)7-9-17)20-12-16-10-14(3)19(21)15(4)11-16/h6-11,18,20-21H,5,12H2,1-4H3
InChIKeyNMTJDQHOJHNVCP-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 60657857
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
CID 97230696
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392
3-chloro-2-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 78959937
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol (CID 43221263) is 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol is CCC(NCc1cc(C)c(O)c(C)c1)c1ccc(C)cc1.
What is the InChIKey of 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
The InChIKey is NMTJDQHOJHNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-18(17-8-6-13(2)7-9-17)20-12-16-10-14(3)19(21)15(4)11-16/h6-11,18,20-21H,5,12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol is sourced from PubChem (CID 43221263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).