N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline

C19H18FNO — CID 50916910

IUPACN-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3ccc(NCCF)cc3)ccc2c1
InChIInChI=1S/C19H18FNO/c1-22-19-9-6-16-12-15(2-3-17(16)13-19)14-4-7-18(8-5-14)21-11-10-20/h2-9,12-13,21H,10-11H2,1H3
InChIKeyXZDRNSQWYYPIDL-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.90
Rot. Bonds5

About N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline

N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline (PubChem CID 50916910) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline
PubChem CID50916910
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC NameN-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3ccc(NCCF)cc3)ccc2c1
InChIInChI=1S/C19H18FNO/c1-22-19-9-6-16-12-15(2-3-17(16)13-19)14-4-7-18(8-5-14)21-11-10-20/h2-9,12-13,21H,10-11H2,1H3
InChIKeyXZDRNSQWYYPIDL-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline?
The IUPAC name of N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline (CID 50916910) is N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline.
What is the SMILES notation for N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline?
The canonical SMILES for N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline is COc1ccc2cc(-c3ccc(NCCF)cc3)ccc2c1.
What is the InChIKey of N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline?
The InChIKey is XZDRNSQWYYPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-22-19-9-6-16-12-15(2-3-17(16)13-19)14-4-7-18(8-5-14)21-11-10-20/h2-9,12-13,21H,10-11H2,1H3.
What are the key properties of N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline?
N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline has a molecular weight of 295.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-(6-methoxynaphthalen-2-yl)aniline is sourced from PubChem (CID 50916910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).