[(3-chloro-4-methoxyphenyl)methylamino]methanol

C9H12ClNO2 — CID 115228943

IUPAC[(3-chloro-4-methoxyphenyl)methylamino]methanol
SMILESCOc1ccc(CNCO)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-13-9-3-2-7(4-8(9)10)5-11-6-12/h2-4,11-12H,5-6H2,1H3
InChIKeySONWGUSUJCWFDZ-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.39
Rot. Bonds4

About [(3-chloro-4-methoxyphenyl)methylamino]methanol

[(3-chloro-4-methoxyphenyl)methylamino]methanol (PubChem CID 115228943) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is [(3-chloro-4-methoxyphenyl)methylamino]methanol.

Molecular Properties

Compound Name[(3-chloro-4-methoxyphenyl)methylamino]methanol
PubChem CID115228943
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name[(3-chloro-4-methoxyphenyl)methylamino]methanol
SMILESCOc1ccc(CNCO)cc1Cl
InChIInChI=1S/C9H12ClNO2/c1-13-9-3-2-7(4-8(9)10)5-11-6-12/h2-4,11-12H,5-6H2,1H3
InChIKeySONWGUSUJCWFDZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 113248212
4-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 65021424
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methoxyphenyl)methylamino]methanol?
The IUPAC name of [(3-chloro-4-methoxyphenyl)methylamino]methanol (CID 115228943) is [(3-chloro-4-methoxyphenyl)methylamino]methanol.
What is the SMILES notation for [(3-chloro-4-methoxyphenyl)methylamino]methanol?
The canonical SMILES for [(3-chloro-4-methoxyphenyl)methylamino]methanol is COc1ccc(CNCO)cc1Cl.
What is the InChIKey of [(3-chloro-4-methoxyphenyl)methylamino]methanol?
The InChIKey is SONWGUSUJCWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-9-3-2-7(4-8(9)10)5-11-6-12/h2-4,11-12H,5-6H2,1H3.
What are the key properties of [(3-chloro-4-methoxyphenyl)methylamino]methanol?
[(3-chloro-4-methoxyphenyl)methylamino]methanol has a molecular weight of 201.65 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methoxyphenyl)methylamino]methanol is sourced from PubChem (CID 115228943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).