(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium

C25H30NO3+ — CID 8637284

IUPAC(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESCCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C25H29NO3/c1-3-28-23-16-10-15-22(25(23)29-18-20-11-6-4-7-12-20)17-26-19(2)24(27)21-13-8-5-9-14-21/h4-16,19,24,26-27H,3,17-18H2,1-2H3/p+1/t19-,24-/m1/s1
InChIKeyFIDVHXZAKYEHDZ-NTKDMRAZSA-O
MW392.52 g/mol
LogP3.85
Rot. Bonds10

About (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium

(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium (PubChem CID 8637284) has the molecular formula C25H30NO3+ and a molecular weight of 392.52 g/mol. Its IUPAC name is (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
PubChem CID8637284
Molecular FormulaC25H30NO3+
Molecular Weight392.52 g/mol
Exact Mass392.22
IUPAC Name(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESCCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C25H29NO3/c1-3-28-23-16-10-15-22(25(23)29-18-20-11-6-4-7-12-20)17-26-19(2)24(27)21-13-8-5-9-14-21/h4-16,19,24,26-27H,3,17-18H2,1-2H3/p+1/t19-,24-/m1/s1
InChIKeyFIDVHXZAKYEHDZ-NTKDMRAZSA-O
XLogP3.85
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
CID 7390028
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311627
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The IUPAC name of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium (CID 8637284) is (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The canonical SMILES for (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium is CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The InChIKey is FIDVHXZAKYEHDZ-NTKDMRAZSA-O. The full InChI is InChI=1S/C25H29NO3/c1-3-28-23-16-10-15-22(25(23)29-18-20-11-6-4-7-12-20)17-26-19(2)24(27)21-13-8-5-9-14-21/h4-16,19,24,26-27H,3,17-18H2,1-2H3/p+1/t19-,24-/m1/s1.
What are the key properties of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium has a molecular weight of 392.52 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 8637284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).