N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

C15H26N2O2 — CID 115252337

IUPACN'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(NCC(CN)C(C)C)c(OC)c1C
InChIInChI=1S/C15H26N2O2/c1-10(2)12(8-16)9-17-13-6-7-14(18-4)11(3)15(13)19-5/h6-7,10,12,17H,8-9,16H2,1-5H3
InChIKeyWGLVNJYANPLLLW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.66
Rot. Bonds7

About N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252337) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252337
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(NCC(CN)C(C)C)c(OC)c1C
InChIInChI=1S/C15H26N2O2/c1-10(2)12(8-16)9-17-13-6-7-14(18-4)11(3)15(13)19-5/h6-7,10,12,17H,8-9,16H2,1-5H3
InChIKeyWGLVNJYANPLLLW-UHFFFAOYSA-N
XLogP2.66
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252336
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-methoxybenzenesulfonamide
CID 107441785
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
CID 115137309
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939
3-(2,4-dimethoxy-3-methylanilino)propanenitrile
CID 115230671
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 115252337) is N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is COc1ccc(NCC(CN)C(C)C)c(OC)c1C.
What is the InChIKey of N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is WGLVNJYANPLLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)12(8-16)9-17-13-6-7-14(18-4)11(3)15(13)19-5/h6-7,10,12,17H,8-9,16H2,1-5H3.
What are the key properties of N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).