4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol

C16H28N2O — CID 104581681

IUPAC4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCCCN(C)C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-12(2)18(5)10-6-9-17-14(4)15-11-13(3)7-8-16(15)19/h7-8,11-12,14,17,19H,6,9-10H2,1-5H3
InChIKeyMOVFQFDBXSPSCN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.08
Rot. Bonds7

About 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol

4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol (PubChem CID 104581681) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
PubChem CID104581681
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCCCN(C)C(C)C)c1
InChIInChI=1S/C16H28N2O/c1-12(2)18(5)10-6-9-17-14(4)15-11-13(3)7-8-16(15)19/h7-8,11-12,14,17,19H,6,9-10H2,1-5H3
InChIKeyMOVFQFDBXSPSCN-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.08
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

methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
CID 43504729
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol (CID 104581681) is 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol is Cc1ccc(O)c(C(C)NCCCN(C)C(C)C)c1.
What is the InChIKey of 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol?
The InChIKey is MOVFQFDBXSPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)18(5)10-6-9-17-14(4)15-11-13(3)7-8-16(15)19/h7-8,11-12,14,17,19H,6,9-10H2,1-5H3.
What are the key properties of 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol?
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol has a molecular weight of 264.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol is sourced from PubChem (CID 104581681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).