5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine

C18H24FN — CID 65305205

IUPAC5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCc1ccc(F)c2ccccc12
InChIInChI=1S/C18H24FN/c1-14(2)20-13-7-3-4-8-15-11-12-18(19)17-10-6-5-9-16(15)17/h5-6,9-12,14,20H,3-4,7-8,13H2,1-2H3
InChIKeyIKMHCTLNCJCZMR-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.69
Rot. Bonds7

About 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine

5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 65305205) has the molecular formula C18H24FN and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID65305205
Molecular FormulaC18H24FN
Molecular Weight273.40 g/mol
Exact Mass273.19
IUPAC Name5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCc1ccc(F)c2ccccc12
InChIInChI=1S/C18H24FN/c1-14(2)20-13-7-3-4-8-15-11-12-18(19)17-10-6-5-9-16(15)17/h5-6,9-12,14,20H,3-4,7-8,13H2,1-2H3
InChIKeyIKMHCTLNCJCZMR-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
4-(4-chloronaphthalen-1-yl)-N-propan-2-ylbutan-1-amine
CID 79596780
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
CID 65305034
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 79733100
1-fluoro-4-(2-methylpropyl)naphthalene
CID 58853997
N-ethyl-5-(4-fluoronaphthalen-1-yl)-3-methylpentan-1-amine
CID 65303657
N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
CID 114088251
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305159

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine (CID 65305205) is 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCc1ccc(F)c2ccccc12.
What is the InChIKey of 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is IKMHCTLNCJCZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-14(2)20-13-7-3-4-8-15-11-12-18(19)17-10-6-5-9-16(15)17/h5-6,9-12,14,20H,3-4,7-8,13H2,1-2H3.
What are the key properties of 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine?
5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65305205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).