2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol

C13H22N2O2 — CID 82257190

IUPAC2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
SMILESCC(Cc1ccc(N)cc1)NCCOCCO
InChIInChI=1S/C13H22N2O2/c1-11(15-6-8-17-9-7-16)10-12-2-4-13(14)5-3-12/h2-5,11,15-16H,6-10,14H2,1H3
InChIKeyXUUZOIAAHJGZKR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds8

About 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol

2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol (PubChem CID 82257190) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
PubChem CID82257190
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
SMILESCC(Cc1ccc(N)cc1)NCCOCCO
InChIInChI=1S/C13H22N2O2/c1-11(15-6-8-17-9-7-16)10-12-2-4-13(14)5-3-12/h2-5,11,15-16H,6-10,14H2,1H3
InChIKeyXUUZOIAAHJGZKR-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
4-[2-(3-ethoxypropylamino)propyl]aniline
CID 82257195
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
2-[2-(1-pyridin-2-ylpropan-2-ylamino)ethoxy]ethanol
CID 137425890
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
CID 61071266
(2S)-2-[3-[2-(2-hydroxyethoxy)ethylamino]butanoylamino]-3-phenylpropanoic acid
CID 56645626
3-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 62499083

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol (CID 82257190) is 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol is CC(Cc1ccc(N)cc1)NCCOCCO.
What is the InChIKey of 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol?
The InChIKey is XUUZOIAAHJGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(15-6-8-17-9-7-16)10-12-2-4-13(14)5-3-12/h2-5,11,15-16H,6-10,14H2,1H3.
What are the key properties of 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol?
2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol is sourced from PubChem (CID 82257190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).