2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol

C20H27NO3 — CID 67673110

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol
SMILESCOc1ccc(CC(C)C(N)C(O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C20H27NO3/c1-13-6-5-7-16(10-13)20(22)19(21)14(2)11-15-8-9-17(23-3)18(12-15)24-4/h5-10,12,14,19-20,22H,11,21H2,1-4H3
InChIKeyKIFLELJNIALHBY-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.25
Rot. Bonds7

About 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol

2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol (PubChem CID 67673110) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol
PubChem CID67673110
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol
SMILESCOc1ccc(CC(C)C(N)C(O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C20H27NO3/c1-13-6-5-7-16(10-13)20(22)19(21)14(2)11-15-8-9-17(23-3)18(12-15)24-4/h5-10,12,14,19-20,22H,11,21H2,1-4H3
InChIKeyKIFLELJNIALHBY-UHFFFAOYSA-N
XLogP3.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673264
(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673862
4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene
CID 63016812
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252
(1R,2R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 67671579
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
CID 67671664
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
CID 21148418

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol (CID 67673110) is 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol is COc1ccc(CC(C)C(N)C(O)c2cccc(C)c2)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol?
The InChIKey is KIFLELJNIALHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-13-6-5-7-16(10-13)20(22)19(21)14(2)11-15-8-9-17(23-3)18(12-15)24-4/h5-10,12,14,19-20,22H,11,21H2,1-4H3.
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol?
2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol is sourced from PubChem (CID 67673110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).