1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C18H30FNO2 — CID 46007739

IUPAC1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCCC(C)N(Cc1ccccc1F)CC(O)COCC(C)C
InChIInChI=1S/C18H30FNO2/c1-5-15(4)20(10-16-8-6-7-9-18(16)19)11-17(21)13-22-12-14(2)3/h6-9,14-15,17,21H,5,10-13H2,1-4H3
InChIKeyGVGDVOGMPPBMIL-UHFFFAOYSA-N
MW311.44 g/mol
LogP3.46
Rot. Bonds10

About 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 46007739) has the molecular formula C18H30FNO2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID46007739
Molecular FormulaC18H30FNO2
Molecular Weight311.44 g/mol
Exact Mass311.23
IUPAC Name1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCCC(C)N(Cc1ccccc1F)CC(O)COCC(C)C
InChIInChI=1S/C18H30FNO2/c1-5-15(4)20(10-16-8-6-7-9-18(16)19)11-17(21)13-22-12-14(2)3/h6-9,14-15,17,21H,5,10-13H2,1-4H3
InChIKeyGVGDVOGMPPBMIL-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 46007739) is 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is CCC(C)N(Cc1ccccc1F)CC(O)COCC(C)C.
What is the InChIKey of 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is GVGDVOGMPPBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO2/c1-5-15(4)20(10-16-8-6-7-9-18(16)19)11-17(21)13-22-12-14(2)3/h6-9,14-15,17,21H,5,10-13H2,1-4H3.
What are the key properties of 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 311.44 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl-[(2-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 46007739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).