N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine

C15H26N2O2 — CID 115197549

IUPACN'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
SMILESCOc1ccc(C(C)(C)CNCCCN)cc1OC
InChIInChI=1S/C15H26N2O2/c1-15(2,11-17-9-5-8-16)12-6-7-13(18-3)14(10-12)19-4/h6-7,10,17H,5,8-9,11,16H2,1-4H3
InChIKeyWQNIVYUBNNHTCI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.92
Rot. Bonds8

About N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine

N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine (PubChem CID 115197549) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
PubChem CID115197549
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
SMILESCOc1ccc(C(C)(C)CNCCCN)cc1OC
InChIInChI=1S/C15H26N2O2/c1-15(2,11-17-9-5-8-16)12-6-7-13(18-3)14(10-12)19-4/h6-7,10,17H,5,8-9,11,16H2,1-4H3
InChIKeyWQNIVYUBNNHTCI-UHFFFAOYSA-N
XLogP1.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]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'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
3-[[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115217257
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
4-[[2-(4-methoxy-3-methylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232114
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261404
N'-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201630
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine (CID 115197549) is N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine is COc1ccc(C(C)(C)CNCCCN)cc1OC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
The InChIKey is WQNIVYUBNNHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,11-17-9-5-8-16)12-6-7-13(18-3)14(10-12)19-4/h6-7,10,17H,5,8-9,11,16H2,1-4H3.
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine?
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine is sourced from PubChem (CID 115197549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).