1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol

C16H23NO2 — CID 109396186

IUPAC1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(/C=C(/C)CNCC2(O)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-13(11-17-12-16(18)8-3-9-16)10-14-4-6-15(19-2)7-5-14/h4-7,10,17-18H,3,8-9,11-12H2,1-2H3/b13-10-
InChIKeyGGJZBAQCQJJCKJ-RAXLEYEMSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds6

About 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol

1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol (PubChem CID 109396186) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
PubChem CID109396186
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
SMILESCOc1ccc(/C=C(/C)CNCC2(O)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-13(11-17-12-16(18)8-3-9-16)10-14-4-6-15(19-2)7-5-14/h4-7,10,17-18H,3,8-9,11-12H2,1-2H3/b13-10-
InChIKeyGGJZBAQCQJJCKJ-RAXLEYEMSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119108221
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
[2-fluoro-5-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]phenyl]methanol
CID 109396417
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780

Frequently Asked Questions

What is the IUPAC name of 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol (CID 109396186) is 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol is COc1ccc(/C=C(/C)CNCC2(O)CCC2)cc1.
What is the InChIKey of 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is GGJZBAQCQJJCKJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(11-17-12-16(18)8-3-9-16)10-14-4-6-15(19-2)7-5-14/h4-7,10,17-18H,3,8-9,11-12H2,1-2H3/b13-10-.
What are the key properties of 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol?
1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 109396186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).