1-[(4-methoxyphenyl)methylamino]butan-2-ol

C12H19NO2 — CID 23060649

IUPAC1-[(4-methoxyphenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1ccc(OC)cc1
InChIInChI=1S/C12H19NO2/c1-3-11(14)9-13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyOTUNUYALXOCROJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds6

About 1-[(4-methoxyphenyl)methylamino]butan-2-ol

1-[(4-methoxyphenyl)methylamino]butan-2-ol (PubChem CID 23060649) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methylamino]butan-2-ol
PubChem CID23060649
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(4-methoxyphenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1ccc(OC)cc1
InChIInChI=1S/C12H19NO2/c1-3-11(14)9-13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyOTUNUYALXOCROJ-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
(2S)-1-[(4-chlorophenyl)methylamino]-3-(4-methoxyphenyl)sulfanylpropan-2-ol
CID 34364222
1-[(4-chlorophenyl)methylamino]-3-(4-methoxyphenyl)sulfanylpropan-2-ol chloride
CID 45108774
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
CID 11301457

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methylamino]butan-2-ol (CID 23060649) is 1-[(4-methoxyphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methylamino]butan-2-ol is CCC(O)CNCc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methylamino]butan-2-ol?
The InChIKey is OTUNUYALXOCROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-11(14)9-13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methylamino]butan-2-ol?
1-[(4-methoxyphenyl)methylamino]butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 23060649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).