2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine

C13H22N2O — CID 83936405

IUPAC2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
SMILESCOc1ccc(C(C)C(CN)CN)c(C)c1
InChIInChI=1S/C13H22N2O/c1-9-6-12(16-3)4-5-13(9)10(2)11(7-14)8-15/h4-6,10-11H,7-8,14-15H2,1-3H3
InChIKeyNUZIXDNEFPCOGM-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine

2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine (PubChem CID 83936405) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
PubChem CID83936405
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
SMILESCOc1ccc(C(C)C(CN)CN)c(C)c1
InChIInChI=1S/C13H22N2O/c1-9-6-12(16-3)4-5-13(9)10(2)11(7-14)8-15/h4-6,10-11H,7-8,14-15H2,1-3H3
InChIKeyNUZIXDNEFPCOGM-UHFFFAOYSA-N
XLogP1.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
CID 81015595
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
[(2R,3R)-3-(4-methoxy-2-methylphenyl)butan-2-yl] (2S)-2-amino-3-methylbutanoate
CID 139473087
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine (CID 83936405) is 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine is COc1ccc(C(C)C(CN)CN)c(C)c1.
What is the InChIKey of 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is NUZIXDNEFPCOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-12(16-3)4-5-13(9)10(2)11(7-14)8-15/h4-6,10-11H,7-8,14-15H2,1-3H3.
What are the key properties of 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine?
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83936405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).