N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

C15H26N2O — CID 116500789

IUPACN-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOCC(C)CNC(CN(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(12-18-4)10-16-15(11-17(2)3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3
InChIKeyQTSHDUAPGOWDKL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.16
Rot. Bonds8

About N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 116500789) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID116500789
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOCC(C)CNC(CN(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(12-18-4)10-16-15(11-17(2)3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3
InChIKeyQTSHDUAPGOWDKL-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine 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',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824238
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864587
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
2-N-(2,2-diphenylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 107292758
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate
CID 102032535
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 116500789) is N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is COCC(C)CNC(CN(C)C)c1ccccc1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is QTSHDUAPGOWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(12-18-4)10-16-15(11-17(2)3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 116500789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).