methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium

C18H24NO2+ — CID 6947943

IUPACmethyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
SMILESC[NH2+]C[C@@H](C)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(12-19-2)13-20-17-10-6-7-11-18(17)21-14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3/p+1/t15-/m1/s1
InChIKeyWQKOOYPFENCASL-OAHLLOKOSA-O
MW286.40 g/mol
LogP2.47
Rot. Bonds8

About methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium

methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium (PubChem CID 6947943) has the molecular formula C18H24NO2+ and a molecular weight of 286.40 g/mol. Its IUPAC name is methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium.

Molecular Properties

Compound Namemethyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
PubChem CID6947943
Molecular FormulaC18H24NO2+
Molecular Weight286.40 g/mol
Exact Mass286.18
IUPAC Namemethyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
SMILESC[NH2+]C[C@@H](C)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(12-19-2)13-20-17-10-6-7-11-18(17)21-14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3/p+1/t15-/m1/s1
InChIKeyWQKOOYPFENCASL-OAHLLOKOSA-O
XLogP2.47
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
(E)-but-2-enedioic acid;N,N,2-trimethyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 6447632
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
CID 20729029
N-(2-phenylmethoxyphenoxy)propan-1-imine
CID 118526745
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
1-[2-[2-(2-hydroxypropyl)-3-phenylmethoxyphenyl]sulfanyl-6-phenylmethoxyphenyl]propan-2-ol
CID 70433050
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium?
The IUPAC name of methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium (CID 6947943) is methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium.
What is the SMILES notation for methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium?
The canonical SMILES for methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium is C[NH2+]C[C@@H](C)COc1ccccc1OCc1ccccc1.
What is the InChIKey of methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium?
The InChIKey is WQKOOYPFENCASL-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H23NO2/c1-15(12-19-2)13-20-17-10-6-7-11-18(17)21-14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium?
methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium has a molecular weight of 286.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium is sourced from PubChem (CID 6947943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).