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

C17H22FNO — CID 65305034

IUPACN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C17H22FNO/c1-13(2)19-10-12-20-11-9-14-7-8-17(18)16-6-4-3-5-15(14)16/h3-8,13,19H,9-12H2,1-2H3
InChIKeyVCMIJMLBCXEIEW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.54
Rot. Bonds7

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

N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine (PubChem CID 65305034) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
PubChem CID65305034
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCc1ccc(F)c2ccccc12
InChIInChI=1S/C17H22FNO/c1-13(2)19-10-12-20-11-9-14-7-8-17(18)16-6-4-3-5-15(14)16/h3-8,13,19H,9-12H2,1-2H3
InChIKeyVCMIJMLBCXEIEW-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.54
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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Related Compounds

5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
CID 65305205
N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
CID 114088251
1-fluoro-4-(2-methylpropyl)naphthalene
CID 58853997
N-ethyl-5-(4-fluoronaphthalen-1-yl)-3-methylpentan-1-amine
CID 65303657
N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine
CID 65304977
2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
CID 79597128
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N-[2-[2-[3-(2,6-difluorophenyl)-2,2-dihydroxy-2λ4,1,3-benzothiadiazol-1-yl]ethoxy]ethyl]propan-2-amine
CID 68711259
4-(4-chloronaphthalen-1-yl)-N-propan-2-ylbutan-1-amine
CID 79596780
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
CID 62341432
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine (CID 65305034) is N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCc1ccc(F)c2ccccc12.
What is the InChIKey of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine?
The InChIKey is VCMIJMLBCXEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-13(2)19-10-12-20-11-9-14-7-8-17(18)16-6-4-3-5-15(14)16/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.54, 7 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]propan-2-amine is sourced from PubChem (CID 65305034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).