1-(4-methoxy-3-pentoxyphenyl)propan-2-amine

C15H25NO2 — CID 54929182

IUPAC1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
SMILESCCCCCOc1cc(CC(C)N)ccc1OC
InChIInChI=1S/C15H25NO2/c1-4-5-6-9-18-15-11-13(10-12(2)16)7-8-14(15)17-3/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyJXMFVJKEGIPODE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.15
Rot. Bonds8

About 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine

1-(4-methoxy-3-pentoxyphenyl)propan-2-amine (PubChem CID 54929182) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
PubChem CID54929182
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
SMILESCCCCCOc1cc(CC(C)N)ccc1OC
InChIInChI=1S/C15H25NO2/c1-4-5-6-9-18-15-11-13(10-12(2)16)7-8-14(15)17-3/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyJXMFVJKEGIPODE-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxy-3-pentoxyphenyl)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-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728370
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine (CID 54929182) is 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine is CCCCCOc1cc(CC(C)N)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine?
The InChIKey is JXMFVJKEGIPODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-6-9-18-15-11-13(10-12(2)16)7-8-14(15)17-3/h7-8,11-12H,4-6,9-10,16H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine?
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pentoxyphenyl)propan-2-amine is sourced from PubChem (CID 54929182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).