N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine

C15H26N2O — CID 113410167

IUPACN-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
SMILESCCNCCCNCCCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-3-16-12-5-13-17-11-4-6-14-7-9-15(18-2)10-8-14/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyHPCHAPSNAMQRHE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds10

About N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine

N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine (PubChem CID 113410167) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
PubChem CID113410167
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
SMILESCCNCCCNCCCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-3-16-12-5-13-17-11-4-6-14-7-9-15(18-2)10-8-14/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyHPCHAPSNAMQRHE-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine 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

N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol
CID 12986246
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
CID 94759885
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine (CID 113410167) is N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine is CCNCCCNCCCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine?
The InChIKey is HPCHAPSNAMQRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-16-12-5-13-17-11-4-6-14-7-9-15(18-2)10-8-14/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine?
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 113410167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).