N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine

C18H24FNO — CID 65304984

IUPACN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C18H24FNO/c1-14(2)13-20-10-12-21-11-9-15-7-8-18(19)17-6-4-3-5-16(15)17/h3-8,14,20H,9-13H2,1-2H3
InChIKeyYNUUISKCDPLEBQ-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.78
Rot. Bonds8

About N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 65304984) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID65304984
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C18H24FNO/c1-14(2)13-20-10-12-21-11-9-15-7-8-18(19)17-6-4-3-5-16(15)17/h3-8,14,20H,9-13H2,1-2H3
InChIKeyYNUUISKCDPLEBQ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine (CID 65304984) is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine is CC(C)CNCCOCCc1ccc(F)c2ccccc12.
What is the InChIKey of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is YNUUISKCDPLEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-14(2)13-20-10-12-21-11-9-15-7-8-18(19)17-6-4-3-5-16(15)17/h3-8,14,20H,9-13H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65304984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).