5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline

C16H25FN2O — CID 107259299

IUPAC5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
SMILESCCCC1CCCN(c2cc(OC)c(N)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-3-5-12-6-4-8-19(9-7-12)15-11-16(20-2)14(18)10-13(15)17/h10-12H,3-9,18H2,1-2H3
InChIKeyDYIVMSQGNFOFPT-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.82
Rot. Bonds4

About 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline

5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline (PubChem CID 107259299) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
PubChem CID107259299
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
SMILESCCCC1CCCN(c2cc(OC)c(N)cc2F)CC1
InChIInChI=1S/C16H25FN2O/c1-3-5-12-6-4-8-19(9-7-12)15-11-16(20-2)14(18)10-13(15)17/h10-12H,3-9,18H2,1-2H3
InChIKeyDYIVMSQGNFOFPT-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline (CID 107259299) is 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline is CCCC1CCCN(c2cc(OC)c(N)cc2F)CC1.
What is the InChIKey of 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline?
The InChIKey is DYIVMSQGNFOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-5-12-6-4-8-19(9-7-12)15-11-16(20-2)14(18)10-13(15)17/h10-12H,3-9,18H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline?
5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline has a molecular weight of 280.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline is sourced from PubChem (CID 107259299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).