(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol

C25H29NO3 — CID 67671687

IUPAC(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
SMILESCOc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H29NO3/c1-18(16-20-12-6-8-14-22(20)28-2)24(26)25(27)21-13-7-9-15-23(21)29-17-19-10-4-3-5-11-19/h3-15,18,24-25,27H,16-17,26H2,1-2H3/t18?,24-,25-/m1/s1
InChIKeyNSWVZTYCHJEXOH-XTEKXTAFSA-N
MW391.51 g/mol
LogP4.51
Rot. Bonds9

About (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol

(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol (PubChem CID 67671687) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
PubChem CID67671687
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
SMILESCOc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H29NO3/c1-18(16-20-12-6-8-14-22(20)28-2)24(26)25(27)21-13-7-9-15-23(21)29-17-19-10-4-3-5-11-19/h3-15,18,24-25,27H,16-17,26H2,1-2H3/t18?,24-,25-/m1/s1
InChIKeyNSWVZTYCHJEXOH-XTEKXTAFSA-N
XLogP4.51
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol with MolForge

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Related Compounds

2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673988
(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673862
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
CID 123524365
2-(2-methoxyphenyl)-1-(3-phenyl-2-phenylmethoxyphenyl)ethanol
CID 67151271
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol (CID 67671687) is (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol is COc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is NSWVZTYCHJEXOH-XTEKXTAFSA-N. The full InChI is InChI=1S/C25H29NO3/c1-18(16-20-12-6-8-14-22(20)28-2)24(26)25(27)21-13-7-9-15-23(21)29-17-19-10-4-3-5-11-19/h3-15,18,24-25,27H,16-17,26H2,1-2H3/t18?,24-,25-/m1/s1.
What are the key properties of (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol?
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol has a molecular weight of 391.51 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 67671687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).