(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium

C18H24NO3+ — CID 7311637

IUPAC(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H23NO3/c1-13(18(20)14-7-5-4-6-8-14)19-12-15-9-10-16(21-2)11-17(15)22-3/h4-11,13,18-20H,12H2,1-3H3/p+1/t13-,18+/m0/s1
InChIKeyLZEYMYLAFRLRBN-SCLBCKFNSA-O
MW302.39 g/mol
LogP1.89
Rot. Bonds7

About (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium

(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium (PubChem CID 7311637) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
PubChem CID7311637
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H23NO3/c1-13(18(20)14-7-5-4-6-8-14)19-12-15-9-10-16(21-2)11-17(15)22-3/h4-11,13,18-20H,12H2,1-3H3/p+1/t13-,18+/m0/s1
InChIKeyLZEYMYLAFRLRBN-SCLBCKFNSA-O
XLogP1.89
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311574
[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174260
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-[(2,4-dimethoxyphenyl)methyl]azanium
CID 6935948
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
CID 7390028
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
(1-hydroxy-1-phenylpropan-2-yl)-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]azanium chloride
CID 110174232
2-(2-amino-4-methoxyphenyl)-1-phenylethanol
CID 15151157
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
(1-hydroxy-1-phenylpropan-2-yl)-[3-(2-methoxy-5-methylphenyl)-3-oxopropyl]azanium chloride
CID 110177664

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium (CID 7311637) is (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium is COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The InChIKey is LZEYMYLAFRLRBN-SCLBCKFNSA-O. The full InChI is InChI=1S/C18H23NO3/c1-13(18(20)14-7-5-4-6-8-14)19-12-15-9-10-16(21-2)11-17(15)22-3/h4-11,13,18-20H,12H2,1-3H3/p+1/t13-,18+/m0/s1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium has a molecular weight of 302.39 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 7311637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).