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

C16H25NO2 — CID 109396219

IUPAC1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
SMILESCOc1ccc(/C=C(/C)CNCC(O)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)16(18)11-17-10-13(3)9-14-5-7-15(19-4)8-6-14/h5-9,12,16-18H,10-11H2,1-4H3/b13-9-
InChIKeyGWBIAKMQQKVDFX-LCYFTJDESA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds7

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

1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol (PubChem CID 109396219) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
PubChem CID109396219
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
SMILESCOc1ccc(/C=C(/C)CNCC(O)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)16(18)11-17-10-13(3)9-14-5-7-15(19-4)8-6-14/h5-9,12,16-18H,10-11H2,1-4H3/b13-9-
InChIKeyGWBIAKMQQKVDFX-LCYFTJDESA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344285
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
CID 109396186
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
(E)-N-(2-hydroxy-3-methylbutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 115746094
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol (CID 109396219) is 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol is COc1ccc(/C=C(/C)CNCC(O)C(C)C)cc1.
What is the InChIKey of 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol?
The InChIKey is GWBIAKMQQKVDFX-LCYFTJDESA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)16(18)11-17-10-13(3)9-14-5-7-15(19-4)8-6-14/h5-9,12,16-18H,10-11H2,1-4H3/b13-9-.
What are the key properties of 1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol?
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.70, 7 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]-3-methylbutan-2-ol is sourced from PubChem (CID 109396219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).