N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine

C16H28N2O — CID 55099227

IUPACN'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)C(C)COC)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-13-6-8-15(9-7-13)16(17-3)10-11-18(4)14(2)12-19-5/h6-9,14,16-17H,10-12H2,1-5H3
InChIKeyNFPZZMQJVRKVMK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.61
Rot. Bonds8

About N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine

N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 55099227) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID55099227
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)C(C)COC)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O/c1-13-6-8-15(9-7-13)16(17-3)10-11-18(4)14(2)12-19-5/h6-9,14,16-17H,10-12H2,1-5H3
InChIKeyNFPZZMQJVRKVMK-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-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-ethyl-N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618250
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine (CID 55099227) is N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine is CNC(CCN(C)C(C)COC)c1ccc(C)cc1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is NFPZZMQJVRKVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-6-8-15(9-7-13)16(17-3)10-11-18(4)14(2)12-19-5/h6-9,14,16-17H,10-12H2,1-5H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 55099227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).