2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol

C14H21NO3 — CID 116859310

IUPAC2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1cc(C)c(C(CO)NC2CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-9-6-13(17-2)14(18-3)7-11(9)12(8-16)15-10-4-5-10/h6-7,10,12,15-16H,4-5,8H2,1-3H3
InChIKeyOQNZSRXWYYDLSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.80
Rot. Bonds6

About 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol

2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol (PubChem CID 116859310) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
PubChem CID116859310
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1cc(C)c(C(CO)NC2CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-9-6-13(17-2)14(18-3)7-11(9)12(8-16)15-10-4-5-10/h6-7,10,12,15-16H,4-5,8H2,1-3H3
InChIKeyOQNZSRXWYYDLSV-UHFFFAOYSA-N
XLogP1.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
CID 61056380
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
CID 54977603
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol (CID 116859310) is 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol is COc1cc(C)c(C(CO)NC2CC2)cc1OC.
What is the InChIKey of 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol?
The InChIKey is OQNZSRXWYYDLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-6-13(17-2)14(18-3)7-11(9)12(8-16)15-10-4-5-10/h6-7,10,12,15-16H,4-5,8H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol?
2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol is sourced from PubChem (CID 116859310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).