(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium

C17H22NO+ — CID 7045470

IUPAC(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
SMILESCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(12-15-6-4-3-5-7-15)18-13-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3/p+1/t14-/m1/s1
InChIKeyJIPPEDXMQNTPMJ-CQSZACIVSA-O
MW256.37 g/mol
LogP2.39
Rot. Bonds6

About (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium

(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium (PubChem CID 7045470) has the molecular formula C17H22NO+ and a molecular weight of 256.37 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
PubChem CID7045470
Molecular FormulaC17H22NO+
Molecular Weight256.37 g/mol
Exact Mass256.17
IUPAC Name(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
SMILESCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(12-15-6-4-3-5-7-15)18-13-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3/p+1/t14-/m1/s1
InChIKeyJIPPEDXMQNTPMJ-CQSZACIVSA-O
XLogP2.39
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium
CID 2245111
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
(4-methoxyphenyl)methyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]azanium
CID 7419139
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
benzyl-[(2S)-butan-2-yl]azanium
CID 2462862
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium (CID 7045470) is (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium is COc1ccc(C[NH2+][C@H](C)Cc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium?
The InChIKey is JIPPEDXMQNTPMJ-CQSZACIVSA-O. The full InChI is InChI=1S/C17H21NO/c1-14(12-15-6-4-3-5-7-15)18-13-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium?
(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium has a molecular weight of 256.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 7045470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).