2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol

C15H25NO2 — CID 66002281

IUPAC2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1cccc(C(C)(O)CCNCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)11-16-9-8-15(3,17)13-6-5-7-14(10-13)18-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyADLGMXSEVPUAHC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.54
Rot. Bonds7

About 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol

2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66002281) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID66002281
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1cccc(C(C)(O)CCNCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)11-16-9-8-15(3,17)13-6-5-7-14(10-13)18-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyADLGMXSEVPUAHC-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
CID 81221362
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002672
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (CID 66002281) is 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is COc1cccc(C(C)(O)CCNCC(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is ADLGMXSEVPUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)11-16-9-8-15(3,17)13-6-5-7-14(10-13)18-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66002281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).