2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol

C15H23NO3 — CID 61056168

IUPAC2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)NC2CCCC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-18-12-7-8-13(15(9-12)19-2)14(10-17)16-11-5-3-4-6-11/h7-9,11,14,16-17H,3-6,10H2,1-2H3
InChIKeyVOLFKSBADPFFNW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.27
Rot. Bonds6

About 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol

2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol (PubChem CID 61056168) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
PubChem CID61056168
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)NC2CCCC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-18-12-7-8-13(15(9-12)19-2)14(10-17)16-11-5-3-4-6-11/h7-9,11,14,16-17H,3-6,10H2,1-2H3
InChIKeyVOLFKSBADPFFNW-UHFFFAOYSA-N
XLogP2.27
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.27
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-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
2-anilino-2-(2,4-dimethoxyphenyl)ethanol
CID 61047149
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 116859310
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol (CID 61056168) is 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol is COc1ccc(C(CO)NC2CCCC2)c(OC)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is VOLFKSBADPFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-12-7-8-13(15(9-12)19-2)14(10-17)16-11-5-3-4-6-11/h7-9,11,14,16-17H,3-6,10H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol?
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 61056168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).