4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol

C18H23NO2 — CID 66611858

IUPAC4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
SMILESCOc1cccc(CNC(CC(C)O)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-14(20)11-18(16-8-4-3-5-9-16)19-13-15-7-6-10-17(12-15)21-2/h3-10,12,14,18-20H,11,13H2,1-2H3
InChIKeyBCPWJALSLXWZDM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds7

About 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol

4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol (PubChem CID 66611858) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
PubChem CID66611858
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
SMILESCOc1cccc(CNC(CC(C)O)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-14(20)11-18(16-8-4-3-5-9-16)19-13-15-7-6-10-17(12-15)21-2/h3-10,12,14,18-20H,11,13H2,1-2H3
InChIKeyBCPWJALSLXWZDM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-3-amino-1-[(3-methoxyphenyl)methylamino]-1-phenylpropan-2-ol
CID 24897263
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
(1S,3S)-1-(benzylamino)-4-methyl-1-phenylpentan-3-ol
CID 102600646
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
1-amino-1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 141047767

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol?
The IUPAC name of 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol (CID 66611858) is 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol?
The canonical SMILES for 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol is COc1cccc(CNC(CC(C)O)c2ccccc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol?
The InChIKey is BCPWJALSLXWZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(20)11-18(16-8-4-3-5-9-16)19-13-15-7-6-10-17(12-15)21-2/h3-10,12,14,18-20H,11,13H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol?
4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol is sourced from PubChem (CID 66611858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).