3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine

C15H25NO — CID 98783993

IUPAC3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1cc(C)cc(C)c1CCCNC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)16-8-6-7-14-13(4)9-12(3)10-15(14)17-5/h9-11,16H,6-8H2,1-5H3
InChIKeyNBGJRIXQAQQNST-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.24
Rot. Bonds6

About 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine

3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 98783993) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID98783993
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1cc(C)cc(C)c1CCCNC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)16-8-6-7-14-13(4)9-12(3)10-15(14)17-5/h9-11,16H,6-8H2,1-5H3
InChIKeyNBGJRIXQAQQNST-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]ethanethiol
CID 115224262
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
2,2,2-trifluoro-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethanamine
CID 115258054
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
CID 115236702
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine (CID 98783993) is 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine is COc1cc(C)cc(C)c1CCCNC(C)C.
What is the InChIKey of 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NBGJRIXQAQQNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)16-8-6-7-14-13(4)9-12(3)10-15(14)17-5/h9-11,16H,6-8H2,1-5H3.
What are the key properties of 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine?
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 98783993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).