2-(2-fluoro-4-methoxyphenyl)-2-propylazepane

C16H24FNO — CID 103395692

IUPAC2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
SMILESCCCC1(c2ccc(OC)cc2F)CCCCCN1
InChIInChI=1S/C16H24FNO/c1-3-9-16(10-5-4-6-11-18-16)14-8-7-13(19-2)12-15(14)17/h7-8,12,18H,3-6,9-11H2,1-2H3
InChIKeyDPSNZSYKYQBUTA-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.99
Rot. Bonds4

About 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane

2-(2-fluoro-4-methoxyphenyl)-2-propylazepane (PubChem CID 103395692) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
PubChem CID103395692
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
SMILESCCCC1(c2ccc(OC)cc2F)CCCCCN1
InChIInChI=1S/C16H24FNO/c1-3-9-16(10-5-4-6-11-18-16)14-8-7-13(19-2)12-15(14)17/h7-8,12,18H,3-6,9-11H2,1-2H3
InChIKeyDPSNZSYKYQBUTA-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-propylazepane
CID 79118364
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
CID 66465348
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-(3,4-difluorophenyl)-2-propylazepane
CID 79117432
2-(2-chloro-5-fluorophenyl)-2-propylazepane
CID 105395218
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine
CID 103433655
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
3-(2-propylazepan-2-yl)pyridin-2-amine
CID 79117624
2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine
CID 106762685
2-phenyl-2-propylazepane
CID 79117631

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane (CID 103395692) is 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane is CCCC1(c2ccc(OC)cc2F)CCCCCN1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane?
The InChIKey is DPSNZSYKYQBUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-9-16(10-5-4-6-11-18-16)14-8-7-13(19-2)12-15(14)17/h7-8,12,18H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane?
2-(2-fluoro-4-methoxyphenyl)-2-propylazepane has a molecular weight of 265.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-2-propylazepane is sourced from PubChem (CID 103395692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).