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

C14H24N2O — CID 116933396

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(C)cc1C(N)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-9-6-11(12(17-5)7-10(9)2)13(16)14(3,4)8-15/h6-7,13H,8,15-16H2,1-5H3
InChIKeyDDTMRDSMGFNQIY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.30
Rot. Bonds4

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

1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 116933396) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID116933396
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(C)cc1C(N)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-9-6-11(12(17-5)7-10(9)2)13(16)14(3,4)8-15/h6-7,13H,8,15-16H2,1-5H3
InChIKeyDDTMRDSMGFNQIY-UHFFFAOYSA-N
XLogP2.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
CID 105032908
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(1R)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 171246095
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 115131625

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 116933396) is 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is COc1cc(C)c(C)cc1C(N)C(C)(C)CN.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is DDTMRDSMGFNQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-6-11(12(17-5)7-10(9)2)13(16)14(3,4)8-15/h6-7,13H,8,15-16H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116933396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).