3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol

C14H21NO2 — CID 66005906

IUPAC3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(CCNCC2CC(O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-17-14-4-2-11(3-5-14)6-7-15-10-12-8-13(16)9-12/h2-5,12-13,15-16H,6-10H2,1H3
InChIKeyPOTICKCWFBIWCX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.60
Rot. Bonds6

About 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol

3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol (PubChem CID 66005906) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
PubChem CID66005906
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(CCNCC2CC(O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-17-14-4-2-11(3-5-14)6-7-15-10-12-8-13(16)9-12/h2-5,12-13,15-16H,6-10H2,1H3
InChIKeyPOTICKCWFBIWCX-UHFFFAOYSA-N
XLogP1.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66006279
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol (CID 66005906) is 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol is COc1ccc(CCNCC2CC(O)C2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol?
The InChIKey is POTICKCWFBIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-14-4-2-11(3-5-14)6-7-15-10-12-8-13(16)9-12/h2-5,12-13,15-16H,6-10H2,1H3.
What are the key properties of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol?
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).