1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride

C16H21ClN2O — CID 175239295

IUPAC1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
SMILESCC(O)c1cccc(NC(C)c2ccc(N)cc2)c1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-11(13-6-8-15(17)9-7-13)18-16-5-3-4-14(10-16)12(2)19;/h3-12,18-19H,17H2,1-2H3;1H
InChIKeyJGALUCONKKUHQK-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.92
Rot. Bonds4

About 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride

1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride (PubChem CID 175239295) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
PubChem CID175239295
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
SMILESCC(O)c1cccc(NC(C)c2ccc(N)cc2)c1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-11(13-6-8-15(17)9-7-13)18-16-5-3-4-14(10-16)12(2)19;/h3-12,18-19H,17H2,1-2H3;1H
InChIKeyJGALUCONKKUHQK-UHFFFAOYSA-N
XLogP3.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 28902579
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1-[3-(tert-butylamino)phenyl]ethanol
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3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
[3-(1-hydroxyethyl)phenyl]thiourea
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N-[1-(4-nitrophenyl)ethyl]-3-propan-2-ylaniline
CID 43297372
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803624
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
The IUPAC name of 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride (CID 175239295) is 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
The canonical SMILES for 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride is CC(O)c1cccc(NC(C)c2ccc(N)cc2)c1.Cl.
What is the InChIKey of 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
The InChIKey is JGALUCONKKUHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-11(13-6-8-15(17)9-7-13)18-16-5-3-4-14(10-16)12(2)19;/h3-12,18-19H,17H2,1-2H3;1H.
What are the key properties of 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 175239295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).