1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol

C15H25NO2 — CID 103913530

IUPAC1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
SMILESCOCC(NCC(O)CC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-12(2)9-14(17)10-16-15(11-18-3)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3
InChIKeyWHNWKWKGOGOJAM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds8

About 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol

1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol (PubChem CID 103913530) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
PubChem CID103913530
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
SMILESCOCC(NCC(O)CC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-12(2)9-14(17)10-16-15(11-18-3)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3
InChIKeyWHNWKWKGOGOJAM-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
[(2S)-1-[[(1R)-2-methoxy-1-phenylethyl]amino]propan-2-yl] acetate
CID 102032535
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989914
1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
CID 103779714
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1-phenylbutan-1-amine
CID 65047919
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
1-(1-phenylpropylamino)butan-2-ol
CID 62305218

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol (CID 103913530) is 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol is COCC(NCC(O)CC(C)C)c1ccccc1.
What is the InChIKey of 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol?
The InChIKey is WHNWKWKGOGOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)9-14(17)10-16-15(11-18-3)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3.
What are the key properties of 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol?
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 103913530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).