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

C16H27NO2 — CID 54929069

IUPAC1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
SMILESCCCCCOc1ccc(CC(C)N)cc1OCC
InChIInChI=1S/C16H27NO2/c1-4-6-7-10-19-15-9-8-14(11-13(3)17)12-16(15)18-5-2/h8-9,12-13H,4-7,10-11,17H2,1-3H3
InChIKeyAFDPPTLYHKKPKK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds9

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

1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine (PubChem CID 54929069) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
PubChem CID54929069
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
SMILESCCCCCOc1ccc(CC(C)N)cc1OCC
InChIInChI=1S/C16H27NO2/c1-4-6-7-10-19-15-9-8-14(11-13(3)17)12-16(15)18-5-2/h8-9,12-13H,4-7,10-11,17H2,1-3H3
InChIKeyAFDPPTLYHKKPKK-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
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

1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
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
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
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
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-pentoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine (CID 54929069) is 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine is CCCCCOc1ccc(CC(C)N)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine?
The InChIKey is AFDPPTLYHKKPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-7-10-19-15-9-8-14(11-13(3)17)12-16(15)18-5-2/h8-9,12-13H,4-7,10-11,17H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine?
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine is sourced from PubChem (CID 54929069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).