1-[2-(4-methoxybutoxy)phenyl]propan-2-amine

C14H23NO2 — CID 113437064

IUPAC1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
SMILESCOCCCCOc1ccccc1CC(C)N
InChIInChI=1S/C14H23NO2/c1-12(15)11-13-7-3-4-8-14(13)17-10-6-5-9-16-2/h3-4,7-8,12H,5-6,9-11,15H2,1-2H3
InChIKeyLXNZEMJLJOKJTL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds8

About 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine

1-[2-(4-methoxybutoxy)phenyl]propan-2-amine (PubChem CID 113437064) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
PubChem CID113437064
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
SMILESCOCCCCOc1ccccc1CC(C)N
InChIInChI=1S/C14H23NO2/c1-12(15)11-13-7-3-4-8-14(13)17-10-6-5-9-16-2/h3-4,7-8,12H,5-6,9-11,15H2,1-2H3
InChIKeyLXNZEMJLJOKJTL-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
1-(3-bromo-2-methylpropyl)-2-(2-methoxyethoxy)benzene
CID 104662872
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine (CID 113437064) is 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine is COCCCCOc1ccccc1CC(C)N.
What is the InChIKey of 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine?
The InChIKey is LXNZEMJLJOKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(15)11-13-7-3-4-8-14(13)17-10-6-5-9-16-2/h3-4,7-8,12H,5-6,9-11,15H2,1-2H3.
What are the key properties of 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine?
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxybutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 113437064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).