N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C16H28N2O — CID 115206463

IUPACN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1c(C)cc(CNCCNC(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11(2)18-8-7-17-10-15-9-12(3)16(19-6)14(5)13(15)4/h9,11,17-18H,7-8,10H2,1-6H3
InChIKeyVZVTXXDMBMHYAB-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.71
Rot. Bonds7

About N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206463) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206463
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1c(C)cc(CNCCNC(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11(2)18-8-7-17-10-15-9-12(3)16(19-6)14(5)13(15)4/h9,11,17-18H,7-8,10H2,1-6H3
InChIKeyVZVTXXDMBMHYAB-UHFFFAOYSA-N
XLogP2.71
TPSA33.29 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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-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-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202568
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 115206463) is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is COc1c(C)cc(CNCCNC(C)C)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VZVTXXDMBMHYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)18-8-7-17-10-15-9-12(3)16(19-6)14(5)13(15)4/h9,11,17-18H,7-8,10H2,1-6H3.
What are the key properties of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).