2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine

C15H26N2O — CID 83927774

IUPAC2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
SMILESCOc1cc(C)c(C(C)CC(CN)CN)cc1C
InChIInChI=1S/C15H26N2O/c1-10(5-13(8-16)9-17)14-6-12(3)15(18-4)7-11(14)2/h6-7,10,13H,5,8-9,16-17H2,1-4H3
InChIKeyDYHJQKOYZTVTTF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine

2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine (PubChem CID 83927774) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
PubChem CID83927774
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
SMILESCOc1cc(C)c(C(C)CC(CN)CN)cc1C
InChIInChI=1S/C15H26N2O/c1-10(5-13(8-16)9-17)14-6-12(3)15(18-4)7-11(14)2/h6-7,10,13H,5,8-9,16-17H2,1-4H3
InChIKeyDYHJQKOYZTVTTF-UHFFFAOYSA-N
XLogP2.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine (CID 83927774) is 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine is COc1cc(C)c(C(C)CC(CN)CN)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine?
The InChIKey is DYHJQKOYZTVTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(5-13(8-16)9-17)14-6-12(3)15(18-4)7-11(14)2/h6-7,10,13H,5,8-9,16-17H2,1-4H3.
What are the key properties of 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine?
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83927774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).