4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol

C16H25NO2 — CID 104530239

IUPAC4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
SMILESCOCC(CCO)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C16H25NO2/c1-12-4-3-5-13(8-12)14-9-16(10-14)17-15(6-7-18)11-19-2/h3-5,8,14-18H,6-7,9-11H2,1-2H3
InChIKeyPQSJEYGVZIRHGR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.23
Rot. Bonds7

About 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol

4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 104530239) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
PubChem CID104530239
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
SMILESCOCC(CCO)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C16H25NO2/c1-12-4-3-5-13(8-12)14-9-16(10-14)17-15(6-7-18)11-19-2/h3-5,8,14-18H,6-7,9-11H2,1-2H3
InChIKeyPQSJEYGVZIRHGR-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64602754

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol (CID 104530239) is 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol is COCC(CCO)NC1CC(c2cccc(C)c2)C1.
What is the InChIKey of 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is PQSJEYGVZIRHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-3-5-13(8-12)14-9-16(10-14)17-15(6-7-18)11-19-2/h3-5,8,14-18H,6-7,9-11H2,1-2H3.
What are the key properties of 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol?
4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 104530239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).