azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene

C11H17NO — CID 66809677

IUPACazane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
SMILESCC1C[C@H]1OCc1ccccc1.N
InChIInChI=1S/C11H14O.H3N/c1-9-7-11(9)12-8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3;1H3/t9?,11-;/m1./s1
InChIKeyIDQRFBOEELKSNP-HHDUEHQLSA-N
MW179.26 g/mol
LogP2.77
Rot. Bonds3

About azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene

azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene (PubChem CID 66809677) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene.

Molecular Properties

Compound Nameazane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
PubChem CID66809677
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameazane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
SMILESCC1C[C@H]1OCc1ccccc1.N
InChIInChI=1S/C11H14O.H3N/c1-9-7-11(9)12-8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3;1H3/t9?,11-;/m1./s1
InChIKeyIDQRFBOEELKSNP-HHDUEHQLSA-N
XLogP2.77
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium
CID 101081564
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene?
The IUPAC name of azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene (CID 66809677) is azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene.
What is the SMILES notation for azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene?
The canonical SMILES for azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene is CC1C[C@H]1OCc1ccccc1.N.
What is the InChIKey of azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene?
The InChIKey is IDQRFBOEELKSNP-HHDUEHQLSA-N. The full InChI is InChI=1S/C11H14O.H3N/c1-9-7-11(9)12-8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3;1H3/t9?,11-;/m1./s1.
What are the key properties of azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene?
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene has a molecular weight of 179.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene is sourced from PubChem (CID 66809677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).