2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol

C13H22N2O2 — CID 82153190

IUPAC2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
SMILESCCOc1ccc(CCCNCCO)cc1N
InChIInChI=1S/C13H22N2O2/c1-2-17-13-6-5-11(10-12(13)14)4-3-7-15-8-9-16/h5-6,10,15-16H,2-4,7-9,14H2,1H3
InChIKeyMSXNMUIIIZTQNM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.18
Rot. Bonds8

About 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol

2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol (PubChem CID 82153190) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
PubChem CID82153190
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
SMILESCCOc1ccc(CCCNCCO)cc1N
InChIInChI=1S/C13H22N2O2/c1-2-17-13-6-5-11(10-12(13)14)4-3-7-15-8-9-16/h5-6,10,15-16H,2-4,7-9,14H2,1H3
InChIKeyMSXNMUIIIZTQNM-UHFFFAOYSA-N
XLogP1.18
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
5-[3-(4-tert-butylanilino)propyl]-2-ethoxyaniline
CID 82153944
3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
CID 82153937
5-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-2-ethoxyaniline
CID 82153211
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,6-difluoroaniline
CID 94760420
5-[3-(3,4-difluoroanilino)propyl]-2-ethoxyaniline
CID 94760419
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol?
The IUPAC name of 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol (CID 82153190) is 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol.
What is the SMILES notation for 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol?
The canonical SMILES for 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol is CCOc1ccc(CCCNCCO)cc1N.
What is the InChIKey of 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol?
The InChIKey is MSXNMUIIIZTQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-13-6-5-11(10-12(13)14)4-3-7-15-8-9-16/h5-6,10,15-16H,2-4,7-9,14H2,1H3.
What are the key properties of 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol?
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol is sourced from PubChem (CID 82153190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).