6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine

C15H25NO — CID 83936392

IUPAC6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
SMILESCOc1ccc(CCCC(N)C(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-11(2)15(16)7-5-6-13-8-9-14(17-4)10-12(13)3/h8-11,15H,5-7,16H2,1-4H3
InChIKeyPTMKKRLLRHDNTR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds6

About 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine

6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine (PubChem CID 83936392) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
PubChem CID83936392
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
SMILESCOc1ccc(CCCC(N)C(C)C)c(C)c1
InChIInChI=1S/C15H25NO/c1-11(2)15(16)7-5-6-13-8-9-14(17-4)10-12(13)3/h8-11,15H,5-7,16H2,1-4H3
InChIKeyPTMKKRLLRHDNTR-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

6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
3-(4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 65315961
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
CID 65316028
1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
1-hex-5-ynyl-4-methoxy-2-methylbenzene
CID 86231947
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-(4-methoxy-2-methylphenyl)hexane-3,4-diol
CID 83936503
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine (CID 83936392) is 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine is COc1ccc(CCCC(N)C(C)C)c(C)c1.
What is the InChIKey of 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine?
The InChIKey is PTMKKRLLRHDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)15(16)7-5-6-13-8-9-14(17-4)10-12(13)3/h8-11,15H,5-7,16H2,1-4H3.
What are the key properties of 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine?
6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-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 6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83936392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).