2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol

C15H26N2O — CID 55205892

IUPAC2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(CN(C)C)C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-11(2)14(10-17(4)5)16-9-13-8-12(3)6-7-15(13)18/h6-8,11,14,16,18H,9-10H2,1-5H3
InChIKeyQDPRITRDVSVKIK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.38
Rot. Bonds6

About 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol

2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol (PubChem CID 55205892) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
PubChem CID55205892
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(CN(C)C)C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-11(2)14(10-17(4)5)16-9-13-8-12(3)6-7-15(13)18/h6-8,11,14,16,18H,9-10H2,1-5H3
InChIKeyQDPRITRDVSVKIK-UHFFFAOYSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953665
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
3-[(2-hydroxy-5-methylphenyl)methylamino]butanenitrile
CID 104586902
methyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-3-methylbutanoate
CID 63327146
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-4-methylphenol
CID 63324725
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
CID 61476145

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol (CID 55205892) is 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNC(CN(C)C)C(C)C)c1.
What is the InChIKey of 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol?
The InChIKey is QDPRITRDVSVKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)14(10-17(4)5)16-9-13-8-12(3)6-7-15(13)18/h6-8,11,14,16,18H,9-10H2,1-5H3.
What are the key properties of 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol?
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol has a molecular weight of 250.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol is sourced from PubChem (CID 55205892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).