1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine

C17H29NO2 — CID 60906663

IUPAC1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
SMILESCCCCCCOc1ccc(CC(C)N)cc1OCC
InChIInChI=1S/C17H29NO2/c1-4-6-7-8-11-20-16-10-9-15(12-14(3)18)13-17(16)19-5-2/h9-10,13-14H,4-8,11-12,18H2,1-3H3
InChIKeySHHYBYUIBZNNKX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.93
Rot. Bonds10

About 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine

1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine (PubChem CID 60906663) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
PubChem CID60906663
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
SMILESCCCCCCOc1ccc(CC(C)N)cc1OCC
InChIInChI=1S/C17H29NO2/c1-4-6-7-8-11-20-16-10-9-15(12-14(3)18)13-17(16)19-5-2/h9-10,13-14H,4-8,11-12,18H2,1-3H3
InChIKeySHHYBYUIBZNNKX-UHFFFAOYSA-N
XLogP3.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxy-4-hexoxyphenyl)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-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483230
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine (CID 60906663) is 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine is CCCCCCOc1ccc(CC(C)N)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine?
The InChIKey is SHHYBYUIBZNNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-7-8-11-20-16-10-9-15(12-14(3)18)13-17(16)19-5-2/h9-10,13-14H,4-8,11-12,18H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine?
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine is sourced from PubChem (CID 60906663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).