[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol

C12H18FNO — CID 106529697

IUPAC[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
SMILESCCC(C)N(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C12H18FNO/c1-4-9(2)14(3)12-6-10(8-15)5-11(13)7-12/h5-7,9,15H,4,8H2,1-3H3
InChIKeyOFXFXCJLNNCCNV-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.55
Rot. Bonds4

About [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol

[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol (PubChem CID 106529697) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
PubChem CID106529697
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
SMILESCCC(C)N(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C12H18FNO/c1-4-9(2)14(3)12-6-10(8-15)5-11(13)7-12/h5-7,9,15H,4,8H2,1-3H3
InChIKeyOFXFXCJLNNCCNV-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
CID 106529699
[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
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3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
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(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
CID 106529981
[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 63077921
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
CID 106529769
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 106529738
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
[2-[butan-2-yl(methyl)amino]-6-tert-butyl-4-pyridinyl]methanol
CID 113380443

Frequently Asked Questions

What is the IUPAC name of [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol (CID 106529697) is [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol is CCC(C)N(C)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol?
The InChIKey is OFXFXCJLNNCCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-9(2)14(3)12-6-10(8-15)5-11(13)7-12/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol?
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol has a molecular weight of 211.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 106529697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).