methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium

C20H41NOY — CID 158360272

IUPACmethane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
SMILESC.C.C.CC(C)NC1CCC1.COc1cccc(C(C)C)c1.[Y]
InChIInChI=1S/C10H14O.C7H15N.3CH4.Y/c1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)8-7-4-3-5-7;;;;/h4-8H,1-3H3;6-8H,3-5H2,1-2H3;3*1H4;
InChIKeyGTJNIWPOEUFHDM-UHFFFAOYSA-N
MW400.46 g/mol
LogP6.26
Rot. Bonds4

About methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium

methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium (PubChem CID 158360272) has the molecular formula C20H41NOY and a molecular weight of 400.46 g/mol. Its IUPAC name is methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium.

Molecular Properties

Compound Namemethane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
PubChem CID158360272
Molecular FormulaC20H41NOY
Molecular Weight400.46 g/mol
Exact Mass400.22
IUPAC Namemethane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
SMILESC.C.C.CC(C)NC1CCC1.COc1cccc(C(C)C)c1.[Y]
InChIInChI=1S/C10H14O.C7H15N.3CH4.Y/c1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)8-7-4-3-5-7;;;;/h4-8H,1-3H3;6-8H,3-5H2,1-2H3;3*1H4;
InChIKeyGTJNIWPOEUFHDM-UHFFFAOYSA-N
XLogP6.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 82314327
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
4-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
CID 161055265
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium?
The IUPAC name of methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium (CID 158360272) is methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium.
What is the SMILES notation for methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium?
The canonical SMILES for methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium is C.C.C.CC(C)NC1CCC1.COc1cccc(C(C)C)c1.[Y].
What is the InChIKey of methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium?
The InChIKey is GTJNIWPOEUFHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C7H15N.3CH4.Y/c1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)8-7-4-3-5-7;;;;/h4-8H,1-3H3;6-8H,3-5H2,1-2H3;3*1H4;.
What are the key properties of methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium?
methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium has a molecular weight of 400.46 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium is sourced from PubChem (CID 158360272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).