N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine

C15H18FN — CID 177057266

IUPACN-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine
SMILESCCN(C)CCc1cc(F)cc2ccccc12
InChIInChI=1S/C15H18FN/c1-3-17(2)9-8-13-11-14(16)10-12-6-4-5-7-15(12)13/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyFYKARQJMXACMSV-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.47
Rot. Bonds4

About N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine

N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine (PubChem CID 177057266) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine
PubChem CID177057266
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC NameN-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine
SMILESCCN(C)CCc1cc(F)cc2ccccc12
InChIInChI=1S/C15H18FN/c1-3-17(2)9-8-13-11-14(16)10-12-6-4-5-7-15(12)13/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyFYKARQJMXACMSV-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine?
The IUPAC name of N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine (CID 177057266) is N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine?
The canonical SMILES for N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine is CCN(C)CCc1cc(F)cc2ccccc12.
What is the InChIKey of N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine?
The InChIKey is FYKARQJMXACMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-3-17(2)9-8-13-11-14(16)10-12-6-4-5-7-15(12)13/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine?
N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine has a molecular weight of 231.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine is sourced from PubChem (CID 177057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).