2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine

C13H22N2O — CID 23198486

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1C(C)(N)CN
InChIInChI=1S/C13H22N2O/c1-9(2)10-5-6-12(16-4)11(7-10)13(3,15)8-14/h5-7,9H,8,14-15H2,1-4H3
InChIKeyMEKDSYWBQHDHFC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine

2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine (PubChem CID 23198486) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
PubChem CID23198486
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
SMILESCOc1ccc(C(C)C)cc1C(C)(N)CN
InChIInChI=1S/C13H22N2O/c1-9(2)10-5-6-12(16-4)11(7-10)13(3,15)8-14/h5-7,9H,8,14-15H2,1-4H3
InChIKeyMEKDSYWBQHDHFC-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
CID 82094101
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 82117037
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine (CID 23198486) is 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine is COc1ccc(C(C)C)cc1C(C)(N)CN.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine?
The InChIKey is MEKDSYWBQHDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)10-5-6-12(16-4)11(7-10)13(3,15)8-14/h5-7,9H,8,14-15H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine?
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine is sourced from PubChem (CID 23198486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).