N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine

C16H28N2O — CID 62460379

IUPACN-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CCOCc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)17-12-14-8-6-7-9-15(14)13-19-11-10-18(4)5/h6-9,17H,10-13H2,1-5H3
InChIKeyVIUYRJYTCOMNKC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.65
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62460379) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62460379
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCN(C)CCOCc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)17-12-14-8-6-7-9-15(14)13-19-11-10-18(4)5/h6-9,17H,10-13H2,1-5H3
InChIKeyVIUYRJYTCOMNKC-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine 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-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725127
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
CID 62455254
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105350642
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505882
N-[[3-bromo-4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102773124
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459166
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
CID 115464856

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62460379) is N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine is CN(C)CCOCc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VIUYRJYTCOMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)17-12-14-8-6-7-9-15(14)13-19-11-10-18(4)5/h6-9,17H,10-13H2,1-5H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).