1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine

C15H25NO — CID 103031433

IUPAC1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCc1ccccc1C(N)CCC(C)(C)OC
InChIInChI=1S/C15H25NO/c1-5-12-8-6-7-9-13(12)14(16)10-11-15(2,3)17-4/h6-9,14H,5,10-11,16H2,1-4H3
InChIKeyDHBOQPZQMHSANJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine

1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031433) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031433
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCc1ccccc1C(N)CCC(C)(C)OC
InChIInChI=1S/C15H25NO/c1-5-12-8-6-7-9-13(12)14(16)10-11-15(2,3)17-4/h6-9,14H,5,10-11,16H2,1-4H3
InChIKeyDHBOQPZQMHSANJ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
1-(2-ethylphenyl)pent-4-en-1-amine
CID 104987661
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031442
1-(2-ethylphenyl)-2-propan-2-yloxyethanamine
CID 105013375
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 103031795
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
CID 103031360
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031125
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine (CID 103031433) is 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine is CCc1ccccc1C(N)CCC(C)(C)OC.
What is the InChIKey of 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is DHBOQPZQMHSANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12-8-6-7-9-13(12)14(16)10-11-15(2,3)17-4/h6-9,14H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine?
1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).