1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine

C15H26N2O — CID 116904669

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(C(C(C)CN)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-10-8-14(18-6)11(2)7-13(10)15(17(4)5)12(3)9-16/h7-8,12,15H,9,16H2,1-6H3
InChIKeyGFUHDDQKFZRARR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine

1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine (PubChem CID 116904669) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
PubChem CID116904669
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(C(C(C)CN)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-10-8-14(18-6)11(2)7-13(10)15(17(4)5)12(3)9-16/h7-8,12,15H,9,16H2,1-6H3
InChIKeyGFUHDDQKFZRARR-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904651
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
1-(2-methoxy-4,5-dimethylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905468
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine (CID 116904669) is 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine is COc1cc(C)c(C(C(C)CN)N(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The InChIKey is GFUHDDQKFZRARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-8-14(18-6)11(2)7-13(10)15(17(4)5)12(3)9-16/h7-8,12,15H,9,16H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116904669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).