3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine

C12H27FNOP — CID 166996621

IUPAC3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCC(F)(P)CCOC(C)(C)C
InChIInChI=1S/C12H27FNOP/c1-10(2)14-8-6-12(13,16)7-9-15-11(3,4)5/h10,14H,6-9,16H2,1-5H3
InChIKeyHLAYROJKOMNTDP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds7

About 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine

3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine (PubChem CID 166996621) has the molecular formula C12H27FNOP and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine
PubChem CID166996621
Molecular FormulaC12H27FNOP
Molecular Weight251.33 g/mol
Exact Mass251.18
IUPAC Name3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCC(F)(P)CCOC(C)(C)C
InChIInChI=1S/C12H27FNOP/c1-10(2)14-8-6-12(13,16)7-9-15-11(3,4)5/h10,14H,6-9,16H2,1-5H3
InChIKeyHLAYROJKOMNTDP-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine 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

N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
4-fluoro-N-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 156303799
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 173861161
N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 59173217
N-ethyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 62455666
5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 62455852
N-(3-methylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 173855002
5-[(2-methylpropan-2-yl)oxy]-N-propylpentan-1-amine
CID 62455851
N-[5-[(2-methylpropan-2-yl)oxy]pentyl]cyclopropanamine
CID 62455853
5-(2-methylbutan-2-yloxy)-N-propan-2-ylpentan-1-amine
CID 62456629

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine (CID 166996621) is 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine is CC(C)NCCC(F)(P)CCOC(C)(C)C.
What is the InChIKey of 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine?
The InChIKey is HLAYROJKOMNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27FNOP/c1-10(2)14-8-6-12(13,16)7-9-15-11(3,4)5/h10,14H,6-9,16H2,1-5H3.
What are the key properties of 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine?
3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2-methylpropan-2-yl)oxy]-3-phosphanyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 166996621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).