1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride

C12H21ClN2O — CID 172679747

IUPAC1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
SMILESCC(C)(C)NCC(O)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9;/h4-7,11,14-15H,8,13H2,1-3H3;1H
InChIKeyAFQFVUICIUDMPU-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.11
Rot. Bonds3

About 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride

1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride (PubChem CID 172679747) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
PubChem CID172679747
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
SMILESCC(C)(C)NCC(O)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9;/h4-7,11,14-15H,8,13H2,1-3H3;1H
InChIKeyAFQFVUICIUDMPU-UHFFFAOYSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.11
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

(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(4-amino-3,5-diiodophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 70405373
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
1-[4-amino-3-(aminomethyl)phenyl]-2-(tert-butylamino)ethanol
CID 172782113
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
CID 13355740
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
CID 58461759
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride (CID 172679747) is 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride is CC(C)(C)NCC(O)c1ccc(N)cc1.Cl.
What is the InChIKey of 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride?
The InChIKey is AFQFVUICIUDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c1-12(2,3)14-8-11(15)9-4-6-10(13)7-5-9;/h4-7,11,14-15H,8,13H2,1-3H3;1H.
What are the key properties of 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride?
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride is sourced from PubChem (CID 172679747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).