N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine

C19H18FN — CID 43085126

IUPACN-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine
SMILESCC(NCc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18FN/c1-14(21-13-15-5-4-8-19(20)11-15)17-10-9-16-6-2-3-7-18(16)12-17/h2-12,14,21H,13H2,1H3
InChIKeyHQSQSWMNDFSVKL-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.83
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine

N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine (PubChem CID 43085126) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine
PubChem CID43085126
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC NameN-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine
SMILESCC(NCc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18FN/c1-14(21-13-15-5-4-8-19(20)11-15)17-10-9-16-6-2-3-7-18(16)12-17/h2-12,14,21H,13H2,1H3
InChIKeyHQSQSWMNDFSVKL-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-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine (CID 43085126) is N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine is CC(NCc1cccc(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine?
The InChIKey is HQSQSWMNDFSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-14(21-13-15-5-4-8-19(20)11-15)17-10-9-16-6-2-3-7-18(16)12-17/h2-12,14,21H,13H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine?
N-[(3-fluorophenyl)methyl]-1-naphthalen-2-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-[(3-fluorophenyl)methyl]-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 43085126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).