N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine

C19H18FN — CID 43178811

IUPACN-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C19H18FN/c1-14(21-13-16-8-3-5-12-19(16)20)17-11-6-9-15-7-2-4-10-18(15)17/h2-12,14,21H,13H2,1H3
InChIKeyDKYSJYICIWWOLG-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.83
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine

N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 43178811) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID43178811
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C19H18FN/c1-14(21-13-16-8-3-5-12-19(16)20)17-11-6-9-15-7-2-4-10-18(15)17/h2-12,14,21H,13H2,1H3
InChIKeyDKYSJYICIWWOLG-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine (CID 43178811) is N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine is CC(NCc1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is DKYSJYICIWWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-14(21-13-16-8-3-5-12-19(16)20)17-11-6-9-15-7-2-4-10-18(15)17/h2-12,14,21H,13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine?
N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 43178811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).