3-(4-amino-N,3-diethylanilino)propan-1-ol

C13H22N2O — CID 18004349

IUPAC3-(4-amino-N,3-diethylanilino)propan-1-ol
SMILESCCc1cc(N(CC)CCCO)ccc1N
InChIInChI=1S/C13H22N2O/c1-3-11-10-12(6-7-13(11)14)15(4-2)8-5-9-16/h6-7,10,16H,3-5,8-9,14H2,1-2H3
InChIKeyVJCVUQHYZLDCEJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds6

About 3-(4-amino-N,3-diethylanilino)propan-1-ol

3-(4-amino-N,3-diethylanilino)propan-1-ol (PubChem CID 18004349) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(4-amino-N,3-diethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-N,3-diethylanilino)propan-1-ol
PubChem CID18004349
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(4-amino-N,3-diethylanilino)propan-1-ol
SMILESCCc1cc(N(CC)CCCO)ccc1N
InChIInChI=1S/C13H22N2O/c1-3-11-10-12(6-7-13(11)14)15(4-2)8-5-9-16/h6-7,10,16H,3-5,8-9,14H2,1-2H3
InChIKeyVJCVUQHYZLDCEJ-UHFFFAOYSA-N
XLogP2.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
1-(4-amino-N,3-diethylanilino)ethanol
CID 70408787
5-[4-amino-N-(4-hydroxybutyl)-3-methylanilino]pentan-1-ol
CID 18004351
2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 23286942
3-(N-ethyl-4-methyl-3-nitroanilino)propan-1-ol
CID 113468956
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-N,3-diethylanilino)propan-1-ol?
The IUPAC name of 3-(4-amino-N,3-diethylanilino)propan-1-ol (CID 18004349) is 3-(4-amino-N,3-diethylanilino)propan-1-ol.
What is the SMILES notation for 3-(4-amino-N,3-diethylanilino)propan-1-ol?
The canonical SMILES for 3-(4-amino-N,3-diethylanilino)propan-1-ol is CCc1cc(N(CC)CCCO)ccc1N.
What is the InChIKey of 3-(4-amino-N,3-diethylanilino)propan-1-ol?
The InChIKey is VJCVUQHYZLDCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-10-12(6-7-13(11)14)15(4-2)8-5-9-16/h6-7,10,16H,3-5,8-9,14H2,1-2H3.
What are the key properties of 3-(4-amino-N,3-diethylanilino)propan-1-ol?
3-(4-amino-N,3-diethylanilino)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-N,3-diethylanilino)propan-1-ol is sourced from PubChem (CID 18004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).