2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol

C16H25NO4 — CID 61056380

IUPAC2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(CO)NC2CCCC2)cc1OC
InChIInChI=1S/C16H25NO4/c1-19-14-9-16(21-3)15(20-2)8-12(14)13(10-18)17-11-6-4-5-7-11/h8-9,11,13,17-18H,4-7,10H2,1-3H3
InChIKeySIUIVAHUSVBJDZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.28
Rot. Bonds7

About 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol

2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol (PubChem CID 61056380) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
PubChem CID61056380
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(CO)NC2CCCC2)cc1OC
InChIInChI=1S/C16H25NO4/c1-19-14-9-16(21-3)15(20-2)8-12(14)13(10-18)17-11-6-4-5-7-11/h8-9,11,13,17-18H,4-7,10H2,1-3H3
InChIKeySIUIVAHUSVBJDZ-UHFFFAOYSA-N
XLogP2.28
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 116859310
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
CID 54977603
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
CID 61054148
2-(cyclopentylamino)-2-[2-(difluoromethoxy)phenyl]ethanol
CID 61053945
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol (CID 61056380) is 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol is COc1cc(OC)c(C(CO)NC2CCCC2)cc1OC.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol?
The InChIKey is SIUIVAHUSVBJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-19-14-9-16(21-3)15(20-2)8-12(14)13(10-18)17-11-6-4-5-7-11/h8-9,11,13,17-18H,4-7,10H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol?
2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol has a molecular weight of 295.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 61056380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).