1-(4-amino-3-propylanilino)ethanol

C11H18N2O — CID 57033695

IUPAC1-(4-amino-3-propylanilino)ethanol
SMILESCCCc1cc(NC(C)O)ccc1N
InChIInChI=1S/C11H18N2O/c1-3-4-9-7-10(13-8(2)14)5-6-11(9)12/h5-8,13-14H,3-4,12H2,1-2H3
InChIKeyDGZJQVHREGXZEP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-amino-3-propylanilino)ethanol

1-(4-amino-3-propylanilino)ethanol (PubChem CID 57033695) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-amino-3-propylanilino)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-propylanilino)ethanol
PubChem CID57033695
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-amino-3-propylanilino)ethanol
SMILESCCCc1cc(NC(C)O)ccc1N
InChIInChI=1S/C11H18N2O/c1-3-4-9-7-10(13-8(2)14)5-6-11(9)12/h5-8,13-14H,3-4,12H2,1-2H3
InChIKeyDGZJQVHREGXZEP-UHFFFAOYSA-N
XLogP1.97
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
N-[1-(4-amino-3-propylanilino)ethyl]methanesulfonamide
CID 57005789
2-(4-amino-3-propylanilino)acetamide
CID 57173900
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
CID 57203096
4-fluoro-2-propylaniline
CID 23348947
4-chloro-2-propylaniline
CID 23348961
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
2-amino-4-(1-hydroxyethylamino)benzenesulfonic acid
CID 88827678
4-(4-aminophenyl)-2-propylaniline
CID 67866626
1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol
CID 22662312

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propylanilino)ethanol?
The IUPAC name of 1-(4-amino-3-propylanilino)ethanol (CID 57033695) is 1-(4-amino-3-propylanilino)ethanol.
What is the SMILES notation for 1-(4-amino-3-propylanilino)ethanol?
The canonical SMILES for 1-(4-amino-3-propylanilino)ethanol is CCCc1cc(NC(C)O)ccc1N.
What is the InChIKey of 1-(4-amino-3-propylanilino)ethanol?
The InChIKey is DGZJQVHREGXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-9-7-10(13-8(2)14)5-6-11(9)12/h5-8,13-14H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-amino-3-propylanilino)ethanol?
1-(4-amino-3-propylanilino)ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propylanilino)ethanol is sourced from PubChem (CID 57033695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).