2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol

C16H28N2O — CID 112554384

IUPAC2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
SMILESCc1cccc(CNCCCCN(C)C(C)C)c1O
InChIInChI=1S/C16H28N2O/c1-13(2)18(4)11-6-5-10-17-12-15-9-7-8-14(3)16(15)19/h7-9,13,17,19H,5-6,10-12H2,1-4H3
InChIKeyRXMFULGFANWKHH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds8

About 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol

2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol (PubChem CID 112554384) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
PubChem CID112554384
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
SMILESCc1cccc(CNCCCCN(C)C(C)C)c1O
InChIInChI=1S/C16H28N2O/c1-13(2)18(4)11-6-5-10-17-12-15-9-7-8-14(3)16(15)19/h7-9,13,17,19H,5-6,10-12H2,1-4H3
InChIKeyRXMFULGFANWKHH-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.91
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'}

Analyze 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103614549
2-(butylaminomethyl)-6-methylphenol
CID 82669937
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909
2-methyl-6-[(3-methylsulfinylpropylamino)methyl]phenol
CID 115907587
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
CID 112554057
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol
CID 112554372

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol (CID 112554384) is 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol is Cc1cccc(CNCCCCN(C)C(C)C)c1O.
What is the InChIKey of 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol?
The InChIKey is RXMFULGFANWKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)18(4)11-6-5-10-17-12-15-9-7-8-14(3)16(15)19/h7-9,13,17,19H,5-6,10-12H2,1-4H3.
What are the key properties of 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol?
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol has a molecular weight of 264.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol is sourced from PubChem (CID 112554384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).