[3-(dimethylamino)-4-fluorophenyl]methanol;ethane

C11H18FNO — CID 144961766

IUPAC[3-(dimethylamino)-4-fluorophenyl]methanol;ethane
SMILESCC.CN(C)c1cc(CO)ccc1F
InChIInChI=1S/C9H12FNO.C2H6/c1-11(2)9-5-7(6-12)3-4-8(9)10;1-2/h3-5,12H,6H2,1-2H3;1-2H3
InChIKeySZOVRVANVKNFPX-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.41
Rot. Bonds2

About [3-(dimethylamino)-4-fluorophenyl]methanol;ethane

[3-(dimethylamino)-4-fluorophenyl]methanol;ethane (PubChem CID 144961766) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is [3-(dimethylamino)-4-fluorophenyl]methanol;ethane.

Molecular Properties

Compound Name[3-(dimethylamino)-4-fluorophenyl]methanol;ethane
PubChem CID144961766
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name[3-(dimethylamino)-4-fluorophenyl]methanol;ethane
SMILESCC.CN(C)c1cc(CO)ccc1F
InChIInChI=1S/C9H12FNO.C2H6/c1-11(2)9-5-7(6-12)3-4-8(9)10;1-2/h3-5,12H,6H2,1-2H3;1-2H3
InChIKeySZOVRVANVKNFPX-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)methanol
CID 522833
1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol
CID 117117535
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
3-[3-(dimethylamino)-4-fluorophenyl]-2-methylpropanoic acid
CID 115112870
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
[4-cyclohexyl-3-(dimethylamino)phenyl]methanol
CID 58020543
2-fluoro-N,N,5-trimethylaniline
CID 118521335
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-fluorophenyl]methanol;ethane?
The IUPAC name of [3-(dimethylamino)-4-fluorophenyl]methanol;ethane (CID 144961766) is [3-(dimethylamino)-4-fluorophenyl]methanol;ethane.
What is the SMILES notation for [3-(dimethylamino)-4-fluorophenyl]methanol;ethane?
The canonical SMILES for [3-(dimethylamino)-4-fluorophenyl]methanol;ethane is CC.CN(C)c1cc(CO)ccc1F.
What is the InChIKey of [3-(dimethylamino)-4-fluorophenyl]methanol;ethane?
The InChIKey is SZOVRVANVKNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.C2H6/c1-11(2)9-5-7(6-12)3-4-8(9)10;1-2/h3-5,12H,6H2,1-2H3;1-2H3.
What are the key properties of [3-(dimethylamino)-4-fluorophenyl]methanol;ethane?
[3-(dimethylamino)-4-fluorophenyl]methanol;ethane has a molecular weight of 199.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-fluorophenyl]methanol;ethane is sourced from PubChem (CID 144961766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).