1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C15H25NO3 — CID 60634429

IUPAC1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOc1ccccc1CNCC(O)COC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-11-13(17)10-16-9-12-7-5-6-8-14(12)18-4/h5-8,13,16-17H,9-11H2,1-4H3
InChIKeyRHMKIVQPEJRDRR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds7

About 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 60634429) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID60634429
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOc1ccccc1CNCC(O)COC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-11-13(17)10-16-9-12-7-5-6-8-14(12)18-4/h5-8,13,16-17H,9-11H2,1-4H3
InChIKeyRHMKIVQPEJRDRR-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 172620668
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164224
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 60634429) is 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COc1ccccc1CNCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is RHMKIVQPEJRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)19-11-13(17)10-16-9-12-7-5-6-8-14(12)18-4/h5-8,13,16-17H,9-11H2,1-4H3.
What are the key properties of 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 60634429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).