1-[3-(2-aminopropylamino)phenyl]ethanol

C11H18N2O — CID 83962997

IUPAC1-[3-(2-aminopropylamino)phenyl]ethanol
SMILESCC(N)CNc1cccc(C(C)O)c1
InChIInChI=1S/C11H18N2O/c1-8(12)7-13-11-5-3-4-10(6-11)9(2)14/h3-6,8-9,13-14H,7,12H2,1-2H3
InChIKeyAKAYQPSOMPWXGI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.50
Rot. Bonds4

About 1-[3-(2-aminopropylamino)phenyl]ethanol

1-[3-(2-aminopropylamino)phenyl]ethanol (PubChem CID 83962997) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[3-(2-aminopropylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-aminopropylamino)phenyl]ethanol
PubChem CID83962997
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[3-(2-aminopropylamino)phenyl]ethanol
SMILESCC(N)CNc1cccc(C(C)O)c1
InChIInChI=1S/C11H18N2O/c1-8(12)7-13-11-5-3-4-10(6-11)9(2)14/h3-6,8-9,13-14H,7,12H2,1-2H3
InChIKeyAKAYQPSOMPWXGI-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(6-aminohexylamino)phenyl]ethanol
CID 83962976
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
[3-(1-hydroxyethyl)phenyl]thiourea
CID 87682391
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
CID 54091562
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60900023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopropylamino)phenyl]ethanol?
The IUPAC name of 1-[3-(2-aminopropylamino)phenyl]ethanol (CID 83962997) is 1-[3-(2-aminopropylamino)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-aminopropylamino)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-aminopropylamino)phenyl]ethanol is CC(N)CNc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(2-aminopropylamino)phenyl]ethanol?
The InChIKey is AKAYQPSOMPWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(12)7-13-11-5-3-4-10(6-11)9(2)14/h3-6,8-9,13-14H,7,12H2,1-2H3.
What are the key properties of 1-[3-(2-aminopropylamino)phenyl]ethanol?
1-[3-(2-aminopropylamino)phenyl]ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopropylamino)phenyl]ethanol is sourced from PubChem (CID 83962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).