1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine

C15H25NO — CID 113386781

IUPAC1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc(C(C)N)cc1C
InChIInChI=1S/C15H25NO/c1-5-6-11(2)10-17-15-8-7-14(13(4)16)9-12(15)3/h7-9,11,13H,5-6,10,16H2,1-4H3
InChIKeyOVKDNQGGFVRMNW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.83
Rot. Bonds6

About 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine

1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 113386781) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
PubChem CID113386781
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc(C(C)N)cc1C
InChIInChI=1S/C15H25NO/c1-5-6-11(2)10-17-15-8-7-14(13(4)16)9-12(15)3/h7-9,11,13H,5-6,10,16H2,1-4H3
InChIKeyOVKDNQGGFVRMNW-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
CID 106450674
1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103283395
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
3-iodo-4-(2-methylpentoxy)aniline
CID 103282911
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437114
(1R)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]ethanamine
CID 106437118
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine (CID 113386781) is 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1ccc(C(C)N)cc1C.
What is the InChIKey of 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is OVKDNQGGFVRMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-11(2)10-17-15-8-7-14(13(4)16)9-12(15)3/h7-9,11,13H,5-6,10,16H2,1-4H3.
What are the key properties of 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine?
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 113386781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).