1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol

C15H23NO2 — CID 115692774

IUPAC1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
SMILESCCC(NCC1(O)CCC1)c1ccccc1OC
InChIInChI=1S/C15H23NO2/c1-3-13(16-11-15(17)9-6-10-15)12-7-4-5-8-14(12)18-2/h4-5,7-8,13,16-17H,3,6,9-11H2,1-2H3
InChIKeyCHMQDTVRAZVSGM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.65
Rot. Bonds6

About 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol

1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol (PubChem CID 115692774) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
PubChem CID115692774
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
SMILESCCC(NCC1(O)CCC1)c1ccccc1OC
InChIInChI=1S/C15H23NO2/c1-3-13(16-11-15(17)9-6-10-15)12-7-4-5-8-14(12)18-2/h4-5,7-8,13,16-17H,3,6,9-11H2,1-2H3
InChIKeyCHMQDTVRAZVSGM-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929998

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol (CID 115692774) is 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol is CCC(NCC1(O)CCC1)c1ccccc1OC.
What is the InChIKey of 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol?
The InChIKey is CHMQDTVRAZVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-13(16-11-15(17)9-6-10-15)12-7-4-5-8-14(12)18-2/h4-5,7-8,13,16-17H,3,6,9-11H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol?
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115692774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).