1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol

C19H25NO2 — CID 110011394

IUPAC1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol
SMILESCOCC(O)CCNC(c1ccccc1)c1ccccc1C
InChIInChI=1S/C19H25NO2/c1-15-8-6-7-11-18(15)19(16-9-4-3-5-10-16)20-13-12-17(21)14-22-2/h3-11,17,19-21H,12-14H2,1-2H3
InChIKeySUMGQFUDYKXBFY-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.07
Rot. Bonds8

About 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol

1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol (PubChem CID 110011394) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol
PubChem CID110011394
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol
SMILESCOCC(O)CCNC(c1ccccc1)c1ccccc1C
InChIInChI=1S/C19H25NO2/c1-15-8-6-7-11-18(15)19(16-9-4-3-5-10-16)20-13-12-17(21)14-22-2/h3-11,17,19-21H,12-14H2,1-2H3
InChIKeySUMGQFUDYKXBFY-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylacetic acid
CID 106248272
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
4-[[(2-methylphenyl)-phenylmethyl]amino]butanoic acid
CID 79481040
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
2-hydroxy-3-[[(2-methylphenyl)-phenylmethyl]amino]propanamide
CID 106171878
1-cyclopropyl-2-[[(2-methylphenyl)-phenylmethyl]amino]ethanol
CID 79481070
N-methyl-2-[[(2-methylphenyl)-phenylmethyl]amino]acetamide
CID 78913864
1-methoxy-4-[1-(2-nitrophenyl)ethylamino]butan-2-ol
CID 103906001
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol (CID 110011394) is 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol is COCC(O)CCNC(c1ccccc1)c1ccccc1C.
What is the InChIKey of 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol?
The InChIKey is SUMGQFUDYKXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-8-6-7-11-18(15)19(16-9-4-3-5-10-16)20-13-12-17(21)14-22-2/h3-11,17,19-21H,12-14H2,1-2H3.
What are the key properties of 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol?
1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol is sourced from PubChem (CID 110011394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).