[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol

C18H23NO2 — CID 103781729

IUPAC[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CC(C)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C18H23NO2/c1-14(10-15-6-8-18(21-2)9-7-15)19-12-16-4-3-5-17(11-16)13-20/h3-9,11,14,19-20H,10,12-13H2,1-2H3
InChIKeyKRUOPYDHXZWJTJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.91
Rot. Bonds7

About [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol

[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol (PubChem CID 103781729) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
PubChem CID103781729
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
SMILESCOc1ccc(CC(C)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C18H23NO2/c1-14(10-15-6-8-18(21-2)9-7-15)19-12-16-4-3-5-17(11-16)13-20/h3-9,11,14,19-20H,10,12-13H2,1-2H3
InChIKeyKRUOPYDHXZWJTJ-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol (CID 103781729) is [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol is COc1ccc(CC(C)NCc2cccc(CO)c2)cc1.
What is the InChIKey of [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
The InChIKey is KRUOPYDHXZWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(10-15-6-8-18(21-2)9-7-15)19-12-16-4-3-5-17(11-16)13-20/h3-9,11,14,19-20H,10,12-13H2,1-2H3.
What are the key properties of [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol?
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103781729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).