2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol

C17H25NO2 — CID 114756110

IUPAC2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
SMILESCOc1cccc(C2CC(NCC3(CCO)CC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-20-16-4-2-3-13(11-16)14-9-15(10-14)18-12-17(5-6-17)7-8-19/h2-4,11,14-15,18-19H,5-10,12H2,1H3
InChIKeyXCCDGMKZUVZJBU-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.69
Rot. Bonds7

About 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol (PubChem CID 114756110) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
PubChem CID114756110
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
SMILESCOc1cccc(C2CC(NCC3(CCO)CC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-20-16-4-2-3-13(11-16)14-9-15(10-14)18-12-17(5-6-17)7-8-19/h2-4,11,14-15,18-19H,5-10,12H2,1H3
InChIKeyXCCDGMKZUVZJBU-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 104759729
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756149
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997574
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol (CID 114756110) is 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol is COc1cccc(C2CC(NCC3(CCO)CC3)C2)c1.
What is the InChIKey of 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is XCCDGMKZUVZJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-16-4-2-3-13(11-16)14-9-15(10-14)18-12-17(5-6-17)7-8-19/h2-4,11,14-15,18-19H,5-10,12H2,1H3.
What are the key properties of 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 275.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).