1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine

C14H24N2O — CID 116933264

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
SMILESCOc1cc(C(C)C)ccc1C(N)CC(C)N
InChIInChI=1S/C14H24N2O/c1-9(2)11-5-6-12(14(8-11)17-4)13(16)7-10(3)15/h5-6,8-10,13H,7,15-16H2,1-4H3
InChIKeyYKRZTFAGSUZQQA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine

1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine (PubChem CID 116933264) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
PubChem CID116933264
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
SMILESCOc1cc(C(C)C)ccc1C(N)CC(C)N
InChIInChI=1S/C14H24N2O/c1-9(2)11-5-6-12(14(8-11)17-4)13(16)7-10(3)15/h5-6,8-10,13H,7,15-16H2,1-4H3
InChIKeyYKRZTFAGSUZQQA-UHFFFAOYSA-N
XLogP2.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
methyl 4-amino-4-(2-methoxy-4-propan-2-ylphenyl)butanoate
CID 116940203
1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 116932641
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine (CID 116933264) is 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine is COc1cc(C(C)C)ccc1C(N)CC(C)N.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine?
The InChIKey is YKRZTFAGSUZQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)11-5-6-12(14(8-11)17-4)13(16)7-10(3)15/h5-6,8-10,13H,7,15-16H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine?
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine is sourced from PubChem (CID 116933264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).