N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride

C20H28ClNO4 — CID 18793164

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
SMILESCCOc1ccccc1OCCNCCCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C20H27NO4.ClH/c1-3-23-19-7-4-5-8-20(19)25-16-14-21-13-6-15-24-18-11-9-17(22-2)10-12-18;/h4-5,7-12,21H,3,6,13-16H2,1-2H3;1H
InChIKeyRTYGLPXCUFPGAF-UHFFFAOYSA-N
MW381.90 g/mol
LogP3.95
Rot. Bonds12

About N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride

N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride (PubChem CID 18793164) has the molecular formula C20H28ClNO4 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
PubChem CID18793164
Molecular FormulaC20H28ClNO4
Molecular Weight381.90 g/mol
Exact Mass381.17
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
SMILESCCOc1ccccc1OCCNCCCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C20H27NO4.ClH/c1-3-23-19-7-4-5-8-20(19)25-16-14-21-13-6-15-24-18-11-9-17(22-2)10-12-18;/h4-5,7-12,21H,3,6,13-16H2,1-2H3;1H
InChIKeyRTYGLPXCUFPGAF-UHFFFAOYSA-N
XLogP3.95
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride (CID 18793164) is N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride is CCOc1ccccc1OCCNCCCOc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride?
The InChIKey is RTYGLPXCUFPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4.ClH/c1-3-23-19-7-4-5-8-20(19)25-16-14-21-13-6-15-24-18-11-9-17(22-2)10-12-18;/h4-5,7-12,21H,3,6,13-16H2,1-2H3;1H.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride?
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 3.95, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 18793164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).