2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine

C15H26N2O — CID 112508878

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C(C)C)cc1C(CN)CN(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)12-6-7-15(18-5)14(8-12)13(9-16)10-17(3)4/h6-8,11,13H,9-10,16H2,1-5H3
InChIKeyFTYXKUAUXTYIHL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.42
Rot. Bonds6

About 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine

2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112508878) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID112508878
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C(C)C)cc1C(CN)CN(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)12-6-7-15(18-5)14(8-12)13(9-16)10-17(3)4/h6-8,11,13H,9-10,16H2,1-5H3
InChIKeyFTYXKUAUXTYIHL-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
CID 116835584
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
2-(2-methoxy-5-propan-2-ylphenyl)-3-(4-nitrophenyl)propan-1-amine
CID 82140023
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 112508878) is 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine is COc1ccc(C(C)C)cc1C(CN)CN(C)C.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FTYXKUAUXTYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)12-6-7-15(18-5)14(8-12)13(9-16)10-17(3)4/h6-8,11,13H,9-10,16H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine?
2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112508878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).