2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride

C14H25Cl2IN2O — CID 6917833

IUPAC2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride
SMILESCc1cc(I)cc(CN(C)CCCN(C)C)c1O.Cl.Cl
InChIInChI=1S/C14H23IN2O.2ClH/c1-11-8-13(15)9-12(14(11)18)10-17(4)7-5-6-16(2)3;;/h8-9,18H,5-7,10H2,1-4H3;2*1H
InChIKeySXPLHSWEPJPKDJ-UHFFFAOYSA-N
MW435.18 g/mol
LogP3.53
Rot. Bonds6

About 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride

2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride (PubChem CID 6917833) has the molecular formula C14H25Cl2IN2O and a molecular weight of 435.18 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride.

Molecular Properties

Compound Name2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride
PubChem CID6917833
Molecular FormulaC14H25Cl2IN2O
Molecular Weight435.18 g/mol
Exact Mass434.04
IUPAC Name2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride
SMILESCc1cc(I)cc(CN(C)CCCN(C)C)c1O.Cl.Cl
InChIInChI=1S/C14H23IN2O.2ClH/c1-11-8-13(15)9-12(14(11)18)10-17(4)7-5-6-16(2)3;;/h8-9,18H,5-7,10H2,1-4H3;2*1H
InChIKeySXPLHSWEPJPKDJ-UHFFFAOYSA-N
XLogP3.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride 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

4-iodo-2-methyl-6-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]phenol;dihydrochloride
CID 18965719
2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
CID 15769042
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
4-bromo-2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 82981356
2,4-diiodo-6-[[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]phenol
CID 71144947
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 177498883
4-[[3-(dimethylamino)propyl-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482608
2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
CID 15906156
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208
3-(dimethylazaniumyl)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylazanium dichloride
CID 2737336

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride?
The IUPAC name of 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride (CID 6917833) is 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride.
What is the SMILES notation for 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride?
The canonical SMILES for 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride is Cc1cc(I)cc(CN(C)CCCN(C)C)c1O.Cl.Cl.
What is the InChIKey of 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride?
The InChIKey is SXPLHSWEPJPKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN2O.2ClH/c1-11-8-13(15)9-12(14(11)18)10-17(4)7-5-6-16(2)3;;/h8-9,18H,5-7,10H2,1-4H3;2*1H.
What are the key properties of 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride?
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride has a molecular weight of 435.18 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride is sourced from PubChem (CID 6917833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).