3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol

C18H30FNO — CID 115997084

IUPAC3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)CN(CC(C)C)CC(C)C(O)c1ccccc1F
InChIInChI=1S/C18H30FNO/c1-13(2)10-20(11-14(3)4)12-15(5)18(21)16-8-6-7-9-17(16)19/h6-9,13-15,18,21H,10-12H2,1-5H3
InChIKeyWVMUFPRLPRYXBI-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.11
Rot. Bonds8

About 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997084) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997084
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)CN(CC(C)C)CC(C)C(O)c1ccccc1F
InChIInChI=1S/C18H30FNO/c1-13(2)10-20(11-14(3)4)12-15(5)18(21)16-8-6-7-9-17(16)19/h6-9,13-15,18,21H,10-12H2,1-5H3
InChIKeyWVMUFPRLPRYXBI-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
4-(2-fluorophenyl)-4-hydroxy-3-methylbutanenitrile
CID 82111982
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997096
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997103

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997084) is 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(C)CN(CC(C)C)CC(C)C(O)c1ccccc1F.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is WVMUFPRLPRYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-13(2)10-20(11-14(3)4)12-15(5)18(21)16-8-6-7-9-17(16)19/h6-9,13-15,18,21H,10-12H2,1-5H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 295.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).