1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine

C14H23NO2 — CID 113436823

IUPAC1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
SMILESCOCCCCOc1ccc(C(C)N)cc1C
InChIInChI=1S/C14H23NO2/c1-11-10-13(12(2)15)6-7-14(11)17-9-5-4-8-16-3/h6-7,10,12H,4-5,8-9,15H2,1-3H3
InChIKeyHHXCABVIBYXBEC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.82
Rot. Bonds7

About 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine

1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine (PubChem CID 113436823) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
PubChem CID113436823
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
SMILESCOCCCCOc1ccc(C(C)N)cc1C
InChIInChI=1S/C14H23NO2/c1-11-10-13(12(2)15)6-7-14(11)17-9-5-4-8-16-3/h6-7,10,12H,4-5,8-9,15H2,1-3H3
InChIKeyHHXCABVIBYXBEC-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
CID 106450674
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
1-[4-(2-tert-butylsulfonylethoxy)-3-methylphenyl]ethanamine
CID 106722489
4-(3-methoxypropoxy)-3-methylaniline
CID 26190033
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine (CID 113436823) is 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine is COCCCCOc1ccc(C(C)N)cc1C.
What is the InChIKey of 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine?
The InChIKey is HHXCABVIBYXBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-10-13(12(2)15)6-7-14(11)17-9-5-4-8-16-3/h6-7,10,12H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine?
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 113436823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).