1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine

C13H22N2O — CID 116932790

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
SMILESCOc1c(C)cc(C(N)CCN)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-8-7-11(12(15)5-6-14)9(2)10(3)13(8)16-4/h7,12H,5-6,14-15H2,1-4H3
InChIKeyHUDCPLRHSAHXIO-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine

1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine (PubChem CID 116932790) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
PubChem CID116932790
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
SMILESCOc1c(C)cc(C(N)CCN)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-8-7-11(12(15)5-6-14)9(2)10(3)13(8)16-4/h7,12H,5-6,14-15H2,1-4H3
InChIKeyHUDCPLRHSAHXIO-UHFFFAOYSA-N
XLogP1.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2,3,5-trimethylphenyl)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

1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
CID 116934191
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
CID 116916007
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine (CID 116932790) is 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine is COc1c(C)cc(C(N)CCN)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine?
The InChIKey is HUDCPLRHSAHXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-7-11(12(15)5-6-14)9(2)10(3)13(8)16-4/h7,12H,5-6,14-15H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine?
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116932790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).