1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine

C17H29NO2 — CID 65176453

IUPAC1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCCCOCC
InChIInChI=1S/C17H29NO2/c1-4-12-18-16(5-2)15-10-7-8-11-17(15)20-14-9-13-19-6-3/h7-8,10-11,16,18H,4-6,9,12-14H2,1-3H3
InChIKeyIBRPAJADNVMOMW-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine

1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 65176453) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
PubChem CID65176453
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCCCOCC
InChIInChI=1S/C17H29NO2/c1-4-12-18-16(5-2)15-10-7-8-11-17(15)20-14-9-13-19-6-3/h7-8,10-11,16,18H,4-6,9,12-14H2,1-3H3
InChIKeyIBRPAJADNVMOMW-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-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-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
CID 102740250
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine (CID 65176453) is 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OCCCOCC.
What is the InChIKey of 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is IBRPAJADNVMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-12-18-16(5-2)15-10-7-8-11-17(15)20-14-9-13-19-6-3/h7-8,10-11,16,18H,4-6,9,12-14H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine?
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 65176453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).