ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane

C18H31NO2 — CID 145332506

IUPACethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane
SMILESCC.CN1CC2CC[C@@H](C2)C1.COc1ccc(CO)cc1
InChIInChI=1S/C8H15N.C8H10O2.C2H6/c1-9-5-7-2-3-8(4-7)6-9;1-10-8-4-2-7(6-9)3-5-8;1-2/h7-8H,2-6H2,1H3;2-5,9H,6H2,1H3;1-2H3/t7-,8?;;/m0../s1
InChIKeyJLSZXRKPKYKTGC-LYJMGTGMSA-N
MW293.45 g/mol
LogP3.56
Rot. Bonds2

About ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane

ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane (PubChem CID 145332506) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane
PubChem CID145332506
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Nameethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane
SMILESCC.CN1CC2CC[C@@H](C2)C1.COc1ccc(CO)cc1
InChIInChI=1S/C8H15N.C8H10O2.C2H6/c1-9-5-7-2-3-8(4-7)6-9;1-10-8-4-2-7(6-9)3-5-8;1-2/h7-8H,2-6H2,1H3;2-5,9H,6H2,1H3;1-2H3/t7-,8?;;/m0../s1
InChIKeyJLSZXRKPKYKTGC-LYJMGTGMSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
CID 143474239
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane (CID 145332506) is ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane is CC.CN1CC2CC[C@@H](C2)C1.COc1ccc(CO)cc1.
What is the InChIKey of ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane?
The InChIKey is JLSZXRKPKYKTGC-LYJMGTGMSA-N. The full InChI is InChI=1S/C8H15N.C8H10O2.C2H6/c1-9-5-7-2-3-8(4-7)6-9;1-10-8-4-2-7(6-9)3-5-8;1-2/h7-8H,2-6H2,1H3;2-5,9H,6H2,1H3;1-2H3/t7-,8?;;/m0../s1.
What are the key properties of ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane?
ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane has a molecular weight of 293.45 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methoxyphenyl)methanol;(5S)-3-methyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 145332506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).