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

C15H25NO2 — CID 66002279

IUPAC2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1ccccc1C(C)(O)CCNCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)11-16-10-9-15(3,17)13-7-5-6-8-14(13)18-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyJLBSRYIGAUJPNP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.54
Rot. Bonds7

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

2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66002279) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
PubChem CID66002279
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
SMILESCOc1ccccc1C(C)(O)CCNCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)11-16-10-9-15(3,17)13-7-5-6-8-14(13)18-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyJLBSRYIGAUJPNP-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

2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002672
4-(2-methylpropylamino)-2-quinolin-8-ylbutan-2-ol
CID 81221214
2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002281
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
CID 65145061
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol (CID 66002279) is 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is COc1ccccc1C(C)(O)CCNCC(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is JLBSRYIGAUJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)11-16-10-9-15(3,17)13-7-5-6-8-14(13)18-4/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol?
2-(2-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-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).