3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol

C13H19ClFNO2 — CID 71860705

IUPAC3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFNO2/c1-13(6-7-17,9-18-2)16-8-10-11(14)4-3-5-12(10)15/h3-5,16-17H,6-9H2,1-2H3
InChIKeyPMIPMBUDTXZEJO-UHFFFAOYSA-N
MW275.75 g/mol
LogP2.36
Rot. Bonds7

About 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol

3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol (PubChem CID 71860705) has the molecular formula C13H19ClFNO2 and a molecular weight of 275.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
PubChem CID71860705
Molecular FormulaC13H19ClFNO2
Molecular Weight275.75 g/mol
Exact Mass275.11
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFNO2/c1-13(6-7-17,9-18-2)16-8-10-11(14)4-3-5-12(10)15/h3-5,16-17H,6-9H2,1-2H3
InChIKeyPMIPMBUDTXZEJO-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(((2-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3820409
Cambridge id 5425968
CID 782960
2-[(2-Chlorobenzyl)amino]-2-methyl-1-propanol
CID 4719286
2-[(4-Chlorobenzyl)amino]-1-butanol
CID 961325
1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)-
CID 60563
1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (S)-
CID 60565
2-[(2,4-Dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 962358
2-[1-(2-Chloro-6-fluorobenzyl)-2-piperazinyl]ethanol
CID 2996922
(2S,3S)-2-[(4-chlorophenyl)methylamino]-3-methylpentan-1-ol
CID 25263456
3-(2-Chloro-benzylamino)-propan-1-ol
CID 3152201
[(2-Chloro-4-fluorophenyl)methyl](3-ethoxypropyl)amine
CID 4548093
4-{[1-(2-Chlorophenyl)ethyl]amino}butan-2-ol
CID 64911529

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol (CID 71860705) is 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol is COCC(C)(CCO)NCc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol?
The InChIKey is PMIPMBUDTXZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO2/c1-13(6-7-17,9-18-2)16-8-10-11(14)4-3-5-12(10)15/h3-5,16-17H,6-9H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol?
3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol has a molecular weight of 275.75 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylamino]-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 71860705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).