2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol

C14H20ClNO2 — CID 112512979

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
SMILESCC(C)Oc1ccc(C(CO)NC2CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(2)18-14-6-3-10(7-12(14)15)13(8-17)16-11-4-5-11/h3,6-7,9,11,13,16-17H,4-5,8H2,1-2H3
InChIKeyGOXQSGOPZFSRKB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol

2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol (PubChem CID 112512979) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
PubChem CID112512979
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
SMILESCC(C)Oc1ccc(C(CO)NC2CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(2)18-14-6-3-10(7-12(14)15)13(8-17)16-11-4-5-11/h3,6-7,9,11,13,16-17H,4-5,8H2,1-2H3
InChIKeyGOXQSGOPZFSRKB-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
CID 105424992
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol (CID 112512979) is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol is CC(C)Oc1ccc(C(CO)NC2CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol?
The InChIKey is GOXQSGOPZFSRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)18-14-6-3-10(7-12(14)15)13(8-17)16-11-4-5-11/h3,6-7,9,11,13,16-17H,4-5,8H2,1-2H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol?
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 112512979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).