5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine

C15H25NO — CID 65305287

IUPAC5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
SMILESCOc1ccc(CCC(C)(C)CCN)cc1C
InChIInChI=1S/C15H25NO/c1-12-11-13(5-6-14(12)17-4)7-8-15(2,3)9-10-16/h5-6,11H,7-10,16H2,1-4H3
InChIKeyIVBHZYUQILLKFG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds6

About 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine

5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine (PubChem CID 65305287) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
PubChem CID65305287
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
SMILESCOc1ccc(CCC(C)(C)CCN)cc1C
InChIInChI=1S/C15H25NO/c1-12-11-13(5-6-14(12)17-4)7-8-15(2,3)9-10-16/h5-6,11H,7-10,16H2,1-4H3
InChIKeyIVBHZYUQILLKFG-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 65305448
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305391
5-(3-bromo-4-propoxyphenyl)-3,3-dimethylpentan-1-amine
CID 104662970
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine (CID 65305287) is 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine is COc1ccc(CCC(C)(C)CCN)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine?
The InChIKey is IVBHZYUQILLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-11-13(5-6-14(12)17-4)7-8-15(2,3)9-10-16/h5-6,11H,7-10,16H2,1-4H3.
What are the key properties of 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine?
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65305287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).