N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline

C20H20FNO — CID 50916911

IUPACN-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3ccc(NCCCF)cc3)ccc2c1
InChIInChI=1S/C20H20FNO/c1-23-20-10-7-17-13-16(3-4-18(17)14-20)15-5-8-19(9-6-15)22-12-2-11-21/h3-10,13-14,22H,2,11-12H2,1H3
InChIKeyJHQXEXUOGAEMRK-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.29
Rot. Bonds6

About N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline

N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline (PubChem CID 50916911) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline
PubChem CID50916911
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC NameN-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3ccc(NCCCF)cc3)ccc2c1
InChIInChI=1S/C20H20FNO/c1-23-20-10-7-17-13-16(3-4-18(17)14-20)15-5-8-19(9-6-15)22-12-2-11-21/h3-10,13-14,22H,2,11-12H2,1H3
InChIKeyJHQXEXUOGAEMRK-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline?
The IUPAC name of N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline (CID 50916911) is N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline.
What is the SMILES notation for N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline?
The canonical SMILES for N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline is COc1ccc2cc(-c3ccc(NCCCF)cc3)ccc2c1.
What is the InChIKey of N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline?
The InChIKey is JHQXEXUOGAEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-23-20-10-7-17-13-16(3-4-18(17)14-20)15-5-8-19(9-6-15)22-12-2-11-21/h3-10,13-14,22H,2,11-12H2,1H3.
What are the key properties of N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline?
N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline has a molecular weight of 309.38 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-(6-methoxynaphthalen-2-yl)aniline is sourced from PubChem (CID 50916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).