4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol

C14H24N2O — CID 63325666

IUPAC4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCN(C)C(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)16(4)8-7-15-10-13-9-12(3)5-6-14(13)17/h5-6,9,11,15,17H,7-8,10H2,1-4H3
InChIKeyWKCTXGHEWZQMMA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds6

About 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol

4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol (PubChem CID 63325666) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
PubChem CID63325666
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCN(C)C(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)16(4)8-7-15-10-13-9-12(3)5-6-14(13)17/h5-6,9,11,15,17H,7-8,10H2,1-4H3
InChIKeyWKCTXGHEWZQMMA-UHFFFAOYSA-N
XLogP2.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62635925
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
5-[(2-hydroxy-5-methylphenyl)methylamino]pentanenitrile
CID 115625650
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
2-[(2,2-diethoxyethylamino)methyl]-4-methylphenol
CID 78960001

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol (CID 63325666) is 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol is Cc1ccc(O)c(CNCCN(C)C(C)C)c1.
What is the InChIKey of 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol?
The InChIKey is WKCTXGHEWZQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)16(4)8-7-15-10-13-9-12(3)5-6-14(13)17/h5-6,9,11,15,17H,7-8,10H2,1-4H3.
What are the key properties of 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol?
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol is sourced from PubChem (CID 63325666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).