2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride

C11H15Cl2FN2O — CID 141286037

IUPAC2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
SMILESCl.Nc1c(F)cc(C(CO)NC2CC2)cc1Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c12-8-3-6(4-9(13)11(8)14)10(5-16)15-7-1-2-7;/h3-4,7,10,15-16H,1-2,5,14H2;1H
InChIKeyINVJPGJLOHQIGN-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.27
Rot. Bonds4

About 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride

2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride (PubChem CID 141286037) has the molecular formula C11H15Cl2FN2O and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
PubChem CID141286037
Molecular FormulaC11H15Cl2FN2O
Molecular Weight281.16 g/mol
Exact Mass280.05
IUPAC Name2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
SMILESCl.Nc1c(F)cc(C(CO)NC2CC2)cc1Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c12-8-3-6(4-9(13)11(8)14)10(5-16)15-7-1-2-7;/h3-4,7,10,15-16H,1-2,5,14H2;1H
InChIKeyINVJPGJLOHQIGN-UHFFFAOYSA-N
XLogP2.27
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.27
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

2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-(3,4,5-trifluorophenyl)ethanol
CID 99703106
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol
CID 141286035
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
CID 70448971

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
The IUPAC name of 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride (CID 141286037) is 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride is Cl.Nc1c(F)cc(C(CO)NC2CC2)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
The InChIKey is INVJPGJLOHQIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O.ClH/c12-8-3-6(4-9(13)11(8)14)10(5-16)15-7-1-2-7;/h3-4,7,10,15-16H,1-2,5,14H2;1H.
What are the key properties of 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride?
2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride has a molecular weight of 281.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride is sourced from PubChem (CID 141286037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).