1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol

C11H17NO2 — CID 117107385

IUPAC1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
SMILESCONCc1cccc(CC(C)O)c1
InChIInChI=1S/C11H17NO2/c1-9(13)6-10-4-3-5-11(7-10)8-12-14-2/h3-5,7,9,12-13H,6,8H2,1-2H3
InChIKeyJXAGYWCMIRIGHD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.26
Rot. Bonds5

About 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol

1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol (PubChem CID 117107385) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
PubChem CID117107385
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
SMILESCONCc1cccc(CC(C)O)c1
InChIInChI=1S/C11H17NO2/c1-9(13)6-10-4-3-5-11(7-10)8-12-14-2/h3-5,7,9,12-13H,6,8H2,1-2H3
InChIKeyJXAGYWCMIRIGHD-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol
CID 117287069
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
CID 117114454
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
1-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
CID 117107418
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
sodium;hydride;1-phenylpropan-2-ol
CID 175039142

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol?
The IUPAC name of 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol (CID 117107385) is 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol is CONCc1cccc(CC(C)O)c1.
What is the InChIKey of 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol?
The InChIKey is JXAGYWCMIRIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(13)6-10-4-3-5-11(7-10)8-12-14-2/h3-5,7,9,12-13H,6,8H2,1-2H3.
What are the key properties of 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol?
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol is sourced from PubChem (CID 117107385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).