2-(4-fluorophenyl)-2-(methylamino)butan-1-ol

C11H16FNO — CID 61055510

IUPAC2-(4-fluorophenyl)-2-(methylamino)butan-1-ol
SMILESCCC(CO)(NC)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-3-11(8-14,13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyVTNVMCXVUHMOIN-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol

2-(4-fluorophenyl)-2-(methylamino)butan-1-ol (PubChem CID 61055510) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(methylamino)butan-1-ol
PubChem CID61055510
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(4-fluorophenyl)-2-(methylamino)butan-1-ol
SMILESCCC(CO)(NC)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-3-11(8-14,13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyVTNVMCXVUHMOIN-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(methylamino)butan-1-ol
CID 61056533
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol
CID 65235270
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 65234691
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol
CID 59267008
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133734
3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
CID 64806249
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
3-(3-fluorophenyl)-3-(methylamino)pentanamide
CID 114873102

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol (CID 61055510) is 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol is CCC(CO)(NC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol?
The InChIKey is VTNVMCXVUHMOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-11(8-14,13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol?
2-(4-fluorophenyl)-2-(methylamino)butan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 61055510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).