1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine

C16H27NO3 — CID 65181053

IUPAC1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
SMILESCCOCCCOc1ccc(CC(C)N)cc1OCC
InChIInChI=1S/C16H27NO3/c1-4-18-9-6-10-20-15-8-7-14(11-13(3)17)12-16(15)19-5-2/h7-8,12-13H,4-6,9-11,17H2,1-3H3
InChIKeyWTZNJOYTDCWFMJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.78
Rot. Bonds10

About 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine

1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine (PubChem CID 65181053) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
PubChem CID65181053
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
SMILESCCOCCCOc1ccc(CC(C)N)cc1OCC
InChIInChI=1S/C16H27NO3/c1-4-18-9-6-10-20-15-8-7-14(11-13(3)17)12-16(15)19-5-2/h7-8,12-13H,4-6,9-11,17H2,1-3H3
InChIKeyWTZNJOYTDCWFMJ-UHFFFAOYSA-N
XLogP2.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-ethoxy-4-(3-ethoxypropoxy)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-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483230
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine (CID 65181053) is 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine is CCOCCCOc1ccc(CC(C)N)cc1OCC.
What is the InChIKey of 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
The InChIKey is WTZNJOYTDCWFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-18-9-6-10-20-15-8-7-14(11-13(3)17)12-16(15)19-5-2/h7-8,12-13H,4-6,9-11,17H2,1-3H3.
What are the key properties of 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine?
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 65181053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).