N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine

C16H34FNO3 — CID 138461009

IUPACN-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine
SMILESCC(C)(C)NCCC(F)COCCOCCOC(C)(C)C
InChIInChI=1S/C16H34FNO3/c1-15(2,3)18-8-7-14(17)13-20-10-9-19-11-12-21-16(4,5)6/h14,18H,7-13H2,1-6H3
InChIKeyVHAKFUZJUHEUDU-UHFFFAOYSA-N
MW307.45 g/mol
LogP2.95
Rot. Bonds11

About N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine

N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine (PubChem CID 138461009) has the molecular formula C16H34FNO3 and a molecular weight of 307.45 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine
PubChem CID138461009
Molecular FormulaC16H34FNO3
Molecular Weight307.45 g/mol
Exact Mass307.25
IUPAC NameN-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine
SMILESCC(C)(C)NCCC(F)COCCOCCOC(C)(C)C
InChIInChI=1S/C16H34FNO3/c1-15(2,3)18-8-7-14(17)13-20-10-9-19-11-12-21-16(4,5)6/h14,18H,7-13H2,1-6H3
InChIKeyVHAKFUZJUHEUDU-UHFFFAOYSA-N
XLogP2.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
CID 141645506
N-tert-butyl-3,3-difluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine
CID 141645572
N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine
CID 146574409
N-tert-butyl-3-fluoro-4-(2-propoxyethoxy)butan-1-amine
CID 161036345
N-tert-butyl-3,3-difluoro-4-(2-propoxyethoxy)butan-1-amine
CID 161036346
N-tert-butyl-3-fluoro-4-propoxybutan-1-amine
CID 161607676
N-tert-butyl-3,3-difluoro-4-(2-propoxyethoxy)butan-1-amine;N-tert-butyl-3-fluoro-4-(2-propoxyethoxy)butan-1-amine
CID 167543388
N-(2-fluoroethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 116017871
N-(3-fluoropropyl)-4-(2-methoxyethoxy)butan-1-amine
CID 116018105
N-tert-butyl-4-(2-ethoxyethoxy)butan-1-amine
CID 62443922
N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 62457353
N-tert-butyl-4-(2-propoxyethoxy)butan-1-amine
CID 63685691

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine?
The IUPAC name of N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine (CID 138461009) is N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine is CC(C)(C)NCCC(F)COCCOCCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine?
The InChIKey is VHAKFUZJUHEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34FNO3/c1-15(2,3)18-8-7-14(17)13-20-10-9-19-11-12-21-16(4,5)6/h14,18H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine?
N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine has a molecular weight of 307.45 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine is sourced from PubChem (CID 138461009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).