(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol

C15H25NO2 — CID 124515490

IUPAC(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
SMILESCOc1ccc([C@H](NCC[C@H](C)O)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)15(16-10-9-12(3)17)13-5-7-14(18-4)8-6-13/h5-8,11-12,15-17H,9-10H2,1-4H3/t12-,15+/m0/s1
InChIKeyCLSOHIGRMBHUQT-SWLSCSKDSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds7

About (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol

(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol (PubChem CID 124515490) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
PubChem CID124515490
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
SMILESCOc1ccc([C@H](NCC[C@H](C)O)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)15(16-10-9-12(3)17)13-5-7-14(18-4)8-6-13/h5-8,11-12,15-17H,9-10H2,1-4H3/t12-,15+/m0/s1
InChIKeyCLSOHIGRMBHUQT-SWLSCSKDSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol with MolForge

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Related Compounds

3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
CID 129372522
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691
(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97113683
[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol
CID 139470244
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
CID 112796946
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol?
The IUPAC name of (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol (CID 124515490) is (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol?
The canonical SMILES for (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol is COc1ccc([C@H](NCC[C@H](C)O)C(C)C)cc1.
What is the InChIKey of (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol?
The InChIKey is CLSOHIGRMBHUQT-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)15(16-10-9-12(3)17)13-5-7-14(18-4)8-6-13/h5-8,11-12,15-17H,9-10H2,1-4H3/t12-,15+/m0/s1.
What are the key properties of (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol?
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol is sourced from PubChem (CID 124515490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).